N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide

C51H47N7O8S3 — CID 91346839

IUPACN-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
SMILESCC(=O)COc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C26H24N4O4S.C25H23N3O4S2/c1-20(31)19-34-24-6-2-5-22(15-24)18-30(35(32,33)25-7-3-12-27-16-25)17-21-8-10-23(11-9-21)26-28-13-4-14-29-26;1-19(29)18-32-23-5-2-4-21(14-23)17-28(34(30,31)24-6-3-11-26-15-24)16-20-7-9-22(10-8-20)25-27-12-13-33-25/h2-16H,17-19H2,1H3;2-15H,16-18H2,1H3
InChIKeyOCASRXRPGVHHSV-UHFFFAOYSA-N
MW982.18 g/mol
LogP8.46
Rot. Bonds20

About N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide

N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide (PubChem CID 91346839) has the molecular formula C51H47N7O8S3 and a molecular weight of 982.18 g/mol. Its IUPAC name is N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
PubChem CID91346839
Molecular FormulaC51H47N7O8S3
Molecular Weight982.18 g/mol
Exact Mass981.26
IUPAC NameN-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
SMILESCC(=O)COc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C26H24N4O4S.C25H23N3O4S2/c1-20(31)19-34-24-6-2-5-22(15-24)18-30(35(32,33)25-7-3-12-27-16-25)17-21-8-10-23(11-9-21)26-28-13-4-14-29-26;1-19(29)18-32-23-5-2-4-21(14-23)17-28(34(30,31)24-6-3-11-26-15-24)16-20-7-9-22(10-8-20)25-27-12-13-33-25/h2-16H,17-19H2,1H3;2-15H,16-18H2,1H3
InChIKeyOCASRXRPGVHHSV-UHFFFAOYSA-N
XLogP8.46
TPSA191.81 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500982.18
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
CID 57940785
N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide
CID 57940807
N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide
CID 57940847
1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide
CID 90746317
N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
CID 157090117
methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide
CID 157161305
1-Tert-butyl-3-phenoxybenzene;3-(4-tert-butylphenyl)pyridine;5-(3-tert-butylphenyl)pyrimidine;2-tert-butyl-4-pyridin-3-yl-1,3-thiazole
CID 157400237
N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide
CID 158378219
N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
CID 159168276
methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide
CID 160068872
methane;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide
CID 161973055

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide (CID 91346839) is N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide is CC(=O)COc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2cccnc2)c1.
What is the InChIKey of N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide?
The InChIKey is OCASRXRPGVHHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S.C25H23N3O4S2/c1-20(31)19-34-24-6-2-5-22(15-24)18-30(35(32,33)25-7-3-12-27-16-25)17-21-8-10-23(11-9-21)26-28-13-4-14-29-26;1-19(29)18-32-23-5-2-4-21(14-23)17-28(34(30,31)24-6-3-11-26-15-24)16-20-7-9-22(10-8-20)25-27-12-13-33-25/h2-16H,17-19H2,1H3;2-15H,16-18H2,1H3.
What are the key properties of N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide?
N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide has a molecular weight of 982.18 g/mol, XLogP of 8.46, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 91346839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).