N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide

C18H22N2O3S — CID 17388137

IUPACN-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-4-6-15-9-11-18(12-10-15)24(22,23)20-17-8-5-7-16(13-17)19-14(2)21/h5,7-13,20H,3-4,6H2,1-2H3,(H,19,21)
InChIKeyVYMWGUXMFMJSRK-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.79
Rot. Bonds7

About N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide

N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 17388137) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID17388137
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-4-6-15-9-11-18(12-10-15)24(22,23)20-17-8-5-7-16(13-17)19-14(2)21/h5,7-13,20H,3-4,6H2,1-2H3,(H,19,21)
InChIKeyVYMWGUXMFMJSRK-UHFFFAOYSA-N
XLogP3.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
N-(3-chlorophenyl)-4-pentylbenzenesulfonamide
CID 3741817
3-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688780
N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide
CID 55706016
4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide
CID 39436095
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676906
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]acetamide
CID 4816692
4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
CID 2231369
N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide
CID 39769711

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide (CID 17388137) is N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide is CCCCc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is VYMWGUXMFMJSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-4-6-15-9-11-18(12-10-15)24(22,23)20-17-8-5-7-16(13-17)19-14(2)21/h5,7-13,20H,3-4,6H2,1-2H3,(H,19,21).
What are the key properties of N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide?
N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 346.45 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 17388137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).