1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide

C26H27N3O4S — CID 50827100

IUPAC1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccccc4)CCC3)cc2)cc1
InChIInChI=1S/C26H27N3O4S/c1-19(30)28-22-12-14-24(15-13-22)34(32,33)29-23-10-8-21(9-11-23)26(16-5-17-26)25(31)27-18-20-6-3-2-4-7-20/h2-4,6-15,29H,5,16-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyLJSMDRWFELGYKO-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.18
Rot. Bonds8

About 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide

1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide (PubChem CID 50827100) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide
PubChem CID50827100
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccccc4)CCC3)cc2)cc1
InChIInChI=1S/C26H27N3O4S/c1-19(30)28-22-12-14-24(15-13-22)34(32,33)29-23-10-8-21(9-11-23)26(16-5-17-26)25(31)27-18-20-6-3-2-4-7-20/h2-4,6-15,29H,5,16-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyLJSMDRWFELGYKO-UHFFFAOYSA-N
XLogP4.18
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061872
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
1-(4-acetamidophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110552
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50822392
N-benzyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061887
N-(2-phenylethyl)-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822306
ethyl 2-[4-[1-(benzylcarbamoyl)cyclobutyl]anilino]-2-oxoacetate
CID 50827081
1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110550
1-[4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 53110672
N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821432
1-[4-(benzenesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827004
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880180

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide?
The IUPAC name of 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide (CID 50827100) is 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccccc4)CCC3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide?
The InChIKey is LJSMDRWFELGYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-19(30)28-22-12-14-24(15-13-22)34(32,33)29-23-10-8-21(9-11-23)26(16-5-17-26)25(31)27-18-20-6-3-2-4-7-20/h2-4,6-15,29H,5,16-18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide?
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 4.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide is sourced from PubChem (CID 50827100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).