3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide

C16H23ClN2O4S — CID 113144351

IUPAC3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide
SMILESCOc1ccc(N(CCC(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H23ClN2O4S/c1-23-15-8-7-13(11-14(15)17)19(24(2,21)22)10-9-16(20)18-12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyNATXWONDPSOLER-UHFFFAOYSA-N
MW374.89 g/mol
LogP2.56
Rot. Bonds7

About 3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide

3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide (PubChem CID 113144351) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide
PubChem CID113144351
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC Name3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide
SMILESCOc1ccc(N(CCC(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H23ClN2O4S/c1-23-15-8-7-13(11-14(15)17)19(24(2,21)22)10-9-16(20)18-12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyNATXWONDPSOLER-UHFFFAOYSA-N
XLogP2.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145193
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide
CID 53280919
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113144205
N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142233
N-cycloheptyl-3-(2,5-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145111
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206
3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144427
N-benzyl-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]butanamide
CID 132629346
methyl 3-[[3-(cyclohexylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113145595
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 132632220
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]butanamide
CID 132634512
2-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanoyl-(2-phenylethyl)amino]-N-cyclopentylbutanamide
CID 132631682

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
The IUPAC name of 3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide (CID 113144351) is 3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
The canonical SMILES for 3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide is COc1ccc(N(CCC(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
The InChIKey is NATXWONDPSOLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-23-15-8-7-13(11-14(15)17)19(24(2,21)22)10-9-16(20)18-12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,20).
What are the key properties of 3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide has a molecular weight of 374.89 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 113144351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).