N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide

C24H39N5O4S — CID 43025784

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)N2CCN(CC(=O)N3CCCC3)CC2)ccc1C
InChIInChI=1S/C24H39N5O4S/c1-5-29(6-2)34(32,33)22-17-21(10-9-19(22)3)25-24(31)20(4)27-15-13-26(14-16-27)18-23(30)28-11-7-8-12-28/h9-10,17,20H,5-8,11-16,18H2,1-4H3,(H,25,31)
InChIKeyRLDMPHSHCMCSAI-UHFFFAOYSA-N
MW493.67 g/mol
LogP1.59
Rot. Bonds9

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide (PubChem CID 43025784) has the molecular formula C24H39N5O4S and a molecular weight of 493.67 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
PubChem CID43025784
Molecular FormulaC24H39N5O4S
Molecular Weight493.67 g/mol
Exact Mass493.27
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)N2CCN(CC(=O)N3CCCC3)CC2)ccc1C
InChIInChI=1S/C24H39N5O4S/c1-5-29(6-2)34(32,33)22-17-21(10-9-19(22)3)25-24(31)20(4)27-15-13-26(14-16-27)18-23(30)28-11-7-8-12-28/h9-10,17,20H,5-8,11-16,18H2,1-4H3,(H,25,31)
InChIKeyRLDMPHSHCMCSAI-UHFFFAOYSA-N
XLogP1.59
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.67
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 30958984
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40809914
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30737865
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 8899039
N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 42926177
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 30737955
(2S)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 8774340
(2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774334
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R)-2-ethylthiomorpholin-4-yl]propanamide
CID 98768353
N-(2,5-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 45281660
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 8901543
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide (CID 43025784) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)N2CCN(CC(=O)N3CCCC3)CC2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide?
The InChIKey is RLDMPHSHCMCSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5O4S/c1-5-29(6-2)34(32,33)22-17-21(10-9-19(22)3)25-24(31)20(4)27-15-13-26(14-16-27)18-23(30)28-11-7-8-12-28/h9-10,17,20H,5-8,11-16,18H2,1-4H3,(H,25,31).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide has a molecular weight of 493.67 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 43025784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).