2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide

C21H25ClN2O4S — CID 43047742

IUPAC2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C21H25ClN2O4S/c1-13(2)20(14-4-6-15(22)7-5-14)21(25)23-18-12-17(10-11-19(18)28-3)29(26,27)24-16-8-9-16/h4-7,10-13,16,20,24H,8-9H2,1-3H3,(H,23,25)
InChIKeyAWMYTPFBOWGWMC-UHFFFAOYSA-N
MW436.96 g/mol
LogP4.17
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide

2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide (PubChem CID 43047742) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide
PubChem CID43047742
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C21H25ClN2O4S/c1-13(2)20(14-4-6-15(22)7-5-14)21(25)23-18-12-17(10-11-19(18)28-3)29(26,27)24-16-8-9-16/h4-7,10-13,16,20,24H,8-9H2,1-3H3,(H,23,25)
InChIKeyAWMYTPFBOWGWMC-UHFFFAOYSA-N
XLogP4.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7900734
(2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7935933
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 7962614
3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 33161073
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 8714154
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 30390267
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-phenylpropanamide
CID 119949323
N-[4-[(2R)-butan-2-yl]phenyl]-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 25409070
3-(2-cyclopropylpropanoylamino)-4-methoxybenzenesulfonyl chloride
CID 83153776

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide (CID 43047742) is 2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide?
The InChIKey is AWMYTPFBOWGWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-13(2)20(14-4-6-15(22)7-5-14)21(25)23-18-12-17(10-11-19(18)28-3)29(26,27)24-16-8-9-16/h4-7,10-13,16,20,24H,8-9H2,1-3H3,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide?
2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide has a molecular weight of 436.96 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide is sourced from PubChem (CID 43047742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).