N-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide

C26H31N3O5S — CID 118621486

IUPACN-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide
SMILESCOC1(C(=O)N2CCN(C(=O)c3ccc(-c4cccc(N(C)S(=O)(=O)C5CC5)c4)cc3)CC2)CC1
InChIInChI=1S/C26H31N3O5S/c1-27(35(32,33)23-10-11-23)22-5-3-4-21(18-22)19-6-8-20(9-7-19)24(30)28-14-16-29(17-15-28)25(31)26(34-2)12-13-26/h3-9,18,23H,10-17H2,1-2H3
InChIKeyBLPHMAIHFMZDRU-UHFFFAOYSA-N
MW497.62 g/mol
LogP2.75
Rot. Bonds7

About N-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide

N-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide (PubChem CID 118621486) has the molecular formula C26H31N3O5S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide
PubChem CID118621486
Molecular FormulaC26H31N3O5S
Molecular Weight497.62 g/mol
Exact Mass497.20
IUPAC NameN-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide
SMILESCOC1(C(=O)N2CCN(C(=O)c3ccc(-c4cccc(N(C)S(=O)(=O)C5CC5)c4)cc3)CC2)CC1
InChIInChI=1S/C26H31N3O5S/c1-27(35(32,33)23-10-11-23)22-5-3-4-21(18-22)19-6-8-20(9-7-19)24(30)28-14-16-29(17-15-28)25(31)26(34-2)12-13-26/h3-9,18,23H,10-17H2,1-2H3
InChIKeyBLPHMAIHFMZDRU-UHFFFAOYSA-N
XLogP2.75
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide (CID 118621486) is N-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide is COC1(C(=O)N2CCN(C(=O)c3ccc(-c4cccc(N(C)S(=O)(=O)C5CC5)c4)cc3)CC2)CC1.
What is the InChIKey of N-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide?
The InChIKey is BLPHMAIHFMZDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5S/c1-27(35(32,33)23-10-11-23)22-5-3-4-21(18-22)19-6-8-20(9-7-19)24(30)28-14-16-29(17-15-28)25(31)26(34-2)12-13-26/h3-9,18,23H,10-17H2,1-2H3.
What are the key properties of N-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide?
N-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide has a molecular weight of 497.62 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 118621486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).