N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide

C20H23ClN2O4S — CID 86882759

IUPACN-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)C(OC2CCCC2)c2ccccc2)cc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-28(25,26)23-18-12-11-15(13-17(18)21)22-20(24)19(14-7-3-2-4-8-14)27-16-9-5-6-10-16/h2-4,7-8,11-13,16,19,23H,5-6,9-10H2,1H3,(H,22,24)
InChIKeyJHCIXVYVPNMQMV-UHFFFAOYSA-N
MW422.93 g/mol
LogP4.35
Rot. Bonds7

About N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide

N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide (PubChem CID 86882759) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide
PubChem CID86882759
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)C(OC2CCCC2)c2ccccc2)cc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-28(25,26)23-18-12-11-15(13-17(18)21)22-20(24)19(14-7-3-2-4-8-14)27-16-9-5-6-10-16/h2-4,7-8,11-13,16,19,23H,5-6,9-10H2,1H3,(H,22,24)
InChIKeyJHCIXVYVPNMQMV-UHFFFAOYSA-N
XLogP4.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43711061
2-cyclopentyloxy-N-[3-(hydroxymethyl)phenyl]-2-phenylacetamide
CID 110923698
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
CID 62855661
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide
CID 103928886
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide
CID 43711077
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide
CID 47030973
[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] cyclohexanecarboxylate
CID 3428865
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide
CID 106594192
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide?
The IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide (CID 86882759) is N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide.
What is the SMILES notation for N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide?
The canonical SMILES for N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide is CS(=O)(=O)Nc1ccc(NC(=O)C(OC2CCCC2)c2ccccc2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide?
The InChIKey is JHCIXVYVPNMQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-28(25,26)23-18-12-11-15(13-17(18)21)22-20(24)19(14-7-3-2-4-8-14)27-16-9-5-6-10-16/h2-4,7-8,11-13,16,19,23H,5-6,9-10H2,1H3,(H,22,24).
What are the key properties of N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide?
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide has a molecular weight of 422.93 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide is sourced from PubChem (CID 86882759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).