1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide

C20H25ClN2O4S — CID 139008656

IUPAC1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
SMILESO=C1CC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CN1C1CCCCC1
InChIInChI=1S/C20H25ClN2O4S/c21-14-6-8-17(9-7-14)28(26,27)20(10-11-20)19(25)22-15-12-18(24)23(13-15)16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-13H2,(H,22,25)
InChIKeyVFJGSPPDUOCPJW-UHFFFAOYSA-N
MW424.95 g/mol
LogP2.70
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide (PubChem CID 139008656) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
PubChem CID139008656
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
SMILESO=C1CC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CN1C1CCCCC1
InChIInChI=1S/C20H25ClN2O4S/c21-14-6-8-17(9-7-14)28(26,27)20(10-11-20)19(25)22-15-12-18(24)23(13-15)16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-13H2,(H,22,25)
InChIKeyVFJGSPPDUOCPJW-UHFFFAOYSA-N
XLogP2.70
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea
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4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride
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N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide
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1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide
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[2-(4-chloroanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 124579992
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide (CID 139008656) is 1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide is O=C1CC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CN1C1CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide?
The InChIKey is VFJGSPPDUOCPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c21-14-6-8-17(9-7-14)28(26,27)20(10-11-20)19(25)22-15-12-18(24)23(13-15)16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-13H2,(H,22,25).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide has a molecular weight of 424.95 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 139008656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).