4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide

C20H23N5O4S — CID 55738184

IUPAC4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(N2CCNC2=O)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H23N5O4S/c26-19-21-9-10-25(19)17-6-4-5-16(15-17)22-20(27)23-11-13-24(14-12-23)30(28,29)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H,21,26)(H,22,27)
InChIKeyRBZTYWYOEPPTFB-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.75
Rot. Bonds4

About 4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide

4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide (PubChem CID 55738184) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide
PubChem CID55738184
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(N2CCNC2=O)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H23N5O4S/c26-19-21-9-10-25(19)17-6-4-5-16(15-17)22-20(27)23-11-13-24(14-12-23)30(28,29)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H,21,26)(H,22,27)
InChIKeyRBZTYWYOEPPTFB-UHFFFAOYSA-N
XLogP1.75
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55778710
4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 154833894
3-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55717175
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 55738186
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583931
2-cyclopentyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 71938993
8-(benzenesulfonyl)-N-(3,4-dimethylphenyl)-5-oxo-1,4,8-triazacycloundecane-1-carboxamide
CID 110200931
4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672792
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 107903731

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide (CID 55738184) is 4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide is O=C(Nc1cccc(N2CCNC2=O)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is RBZTYWYOEPPTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c26-19-21-9-10-25(19)17-6-4-5-16(15-17)22-20(27)23-11-13-24(14-12-23)30(28,29)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H,21,26)(H,22,27).
What are the key properties of 4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide?
4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55738184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).