4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide

C21H25N5O4S — CID 154833894

IUPAC4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide
SMILESCC1CNC(=O)N1c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H25N5O4S/c1-16-15-22-20(27)26(16)18-7-5-6-17(14-18)23-21(28)24-10-12-25(13-11-24)31(29,30)19-8-3-2-4-9-19/h2-9,14,16H,10-13,15H2,1H3,(H,22,27)(H,23,28)
InChIKeyVHCDZNURIQHVKE-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.14
Rot. Bonds4

About 4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide

4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide (PubChem CID 154833894) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide
PubChem CID154833894
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC Name4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide
SMILESCC1CNC(=O)N1c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H25N5O4S/c1-16-15-22-20(27)26(16)18-7-5-6-17(14-18)23-21(28)24-10-12-25(13-11-24)31(29,30)19-8-3-2-4-9-19/h2-9,14,16H,10-13,15H2,1H3,(H,22,27)(H,23,28)
InChIKeyVHCDZNURIQHVKE-UHFFFAOYSA-N
XLogP2.14
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 55738184
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583931
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55778710
4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 6466224
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697525
8-(benzenesulfonyl)-N-(3,4-dimethylphenyl)-5-oxo-1,4,8-triazacycloundecane-1-carboxamide
CID 110200931
N-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
CID 43001394
N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697164
N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 6467928
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 56554719

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide (CID 154833894) is 4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide is CC1CNC(=O)N1c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is VHCDZNURIQHVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-16-15-22-20(27)26(16)18-7-5-6-17(14-18)23-21(28)24-10-12-25(13-11-24)31(29,30)19-8-3-2-4-9-19/h2-9,14,16H,10-13,15H2,1H3,(H,22,27)(H,23,28).
What are the key properties of 4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide?
4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 2.14, 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-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 154833894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).