N,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide

C18H19N3O3S2 — CID 16611739

IUPACN,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide
SMILESCc1oc(-c2ccccc2)nc1CSc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C18H19N3O3S2/c1-13-16(20-18(24-13)14-7-5-4-6-8-14)12-25-17-10-9-15(11-19-17)26(22,23)21(2)3/h4-11H,12H2,1-3H3
InChIKeyOFJKDSADOAVBDM-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.59
Rot. Bonds6

About N,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide

N,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide (PubChem CID 16611739) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide
PubChem CID16611739
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide
SMILESCc1oc(-c2ccccc2)nc1CSc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C18H19N3O3S2/c1-13-16(20-18(24-13)14-7-5-4-6-8-14)12-25-17-10-9-15(11-19-17)26(22,23)21(2)3/h4-11H,12H2,1-3H3
InChIKeyOFJKDSADOAVBDM-UHFFFAOYSA-N
XLogP3.59
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]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

4-methoxy-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 20955807
4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide
CID 141185656
N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide
CID 7759724
6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide
CID 24675176
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 16588636
N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide
CID 30123931
N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide
CID 24571736
(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 40646942
N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide
CID 7759924
6-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide
CID 7759664
4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole
CID 20908483

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide (CID 16611739) is N,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide is Cc1oc(-c2ccccc2)nc1CSc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of N,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide?
The InChIKey is OFJKDSADOAVBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-13-16(20-18(24-13)14-7-5-4-6-8-14)12-25-17-10-9-15(11-19-17)26(22,23)21(2)3/h4-11H,12H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide?
N,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide has a molecular weight of 389.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-sulfonamide is sourced from PubChem (CID 16611739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).