N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C19H27N3O3S — CID 108911979

IUPACN-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N/C=C/C3CCCC3)CC2)cc1
InChIInChI=1S/C19H27N3O3S/c1-16-6-8-18(9-7-16)26(24,25)22-14-12-21(13-15-22)19(23)20-11-10-17-4-2-3-5-17/h6-11,17H,2-5,12-15H2,1H3,(H,20,23)/b11-10+
InChIKeyOXGPCHOIACOBDD-ZHACJKMWSA-N
MW377.51 g/mol
LogP2.71
Rot. Bonds4

About N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 108911979) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID108911979
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N/C=C/C3CCCC3)CC2)cc1
InChIInChI=1S/C19H27N3O3S/c1-16-6-8-18(9-7-16)26(24,25)22-14-12-21(13-15-22)19(23)20-11-10-17-4-2-3-5-17/h6-11,17H,2-5,12-15H2,1H3,(H,20,23)/b11-10+
InChIKeyOXGPCHOIACOBDD-ZHACJKMWSA-N
XLogP2.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-2-(2-chlorophenyl)ethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108904919
4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide
CID 108915281
cyclopentyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 38838505
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 849899
4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide
CID 108909745
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azocane-1-carboxamide
CID 78833850
1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine
CID 134861906
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110811075
4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 9266280
N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 23849761
(7aR,11aR)-1,4,7-tris-(4-methylphenyl)sulfonyl-2,3,5,6,7a,8,9,10,11,11a-decahydrobenzo[b][1,4,7]triazonine
CID 101249934
N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 17299399

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 108911979) is N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)N/C=C/C3CCCC3)CC2)cc1.
What is the InChIKey of N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is OXGPCHOIACOBDD-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-16-6-8-18(9-7-16)26(24,25)22-14-12-21(13-15-22)19(23)20-11-10-17-4-2-3-5-17/h6-11,17H,2-5,12-15H2,1H3,(H,20,23)/b11-10+.
What are the key properties of N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 108911979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).