1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea

C19H22N4O4S — CID 55699026

IUPAC1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2N2CCCC2=O)cc1
InChIInChI=1S/C19H22N4O4S/c20-28(26,27)15-9-7-14(8-10-15)11-12-21-19(25)22-16-4-1-2-5-17(16)23-13-3-6-18(23)24/h1-2,4-5,7-10H,3,6,11-13H2,(H2,20,26,27)(H2,21,22,25)
InChIKeyYRQSLEBYHFQKMT-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.83
Rot. Bonds6

About 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea

1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 55699026) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID55699026
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2N2CCCC2=O)cc1
InChIInChI=1S/C19H22N4O4S/c20-28(26,27)15-9-7-14(8-10-15)11-12-21-19(25)22-16-4-1-2-5-17(16)23-13-3-6-18(23)24/h1-2,4-5,7-10H,3,6,11-13H2,(H2,20,26,27)(H2,21,22,25)
InChIKeyYRQSLEBYHFQKMT-UHFFFAOYSA-N
XLogP1.83
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 9210420
1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55698993
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26955686
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 55695199
1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989685
(2R)-2-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 103794249
1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108988277
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9442082
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
2-methyl-5-methylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18166587

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 55699026) is 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea is NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2N2CCCC2=O)cc1.
What is the InChIKey of 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is YRQSLEBYHFQKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c20-28(26,27)15-9-7-14(8-10-15)11-12-21-19(25)22-16-4-1-2-5-17(16)23-13-3-6-18(23)24/h1-2,4-5,7-10H,3,6,11-13H2,(H2,20,26,27)(H2,21,22,25).
What are the key properties of 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 402.48 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 55699026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).