N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide

C19H23ClN2O3S — CID 112997620

IUPACN-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)Nc2ccc(C(C)(C)C)cc2)ccc1Cl
InChIInChI=1S/C19H23ClN2O3S/c1-13-11-16(9-10-17(13)20)26(24,25)21-12-18(23)22-15-7-5-14(6-8-15)19(2,3)4/h5-11,21H,12H2,1-4H3,(H,22,23)
InChIKeyKXADCZJVFAIUPX-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.86
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide

N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide (PubChem CID 112997620) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
PubChem CID112997620
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)Nc2ccc(C(C)(C)C)cc2)ccc1Cl
InChIInChI=1S/C19H23ClN2O3S/c1-13-11-16(9-10-17(13)20)26(24,25)21-12-18(23)22-15-7-5-14(6-8-15)19(2,3)4/h5-11,21H,12H2,1-4H3,(H,22,23)
InChIKeyKXADCZJVFAIUPX-UHFFFAOYSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112999779
N-(4-tert-butylphenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 112997610
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 112996149
N-(3-chloro-4-methylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 112998194
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(4-tert-butylphenyl)acetamide
CID 112997615
N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9203847
2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110601053
2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide
CID 113002113
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 112992700
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
N-(3,5-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 113001384
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 112991642

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide (CID 112997620) is N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide is Cc1cc(S(=O)(=O)NCC(=O)Nc2ccc(C(C)(C)C)cc2)ccc1Cl.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide?
The InChIKey is KXADCZJVFAIUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13-11-16(9-10-17(13)20)26(24,25)21-12-18(23)22-15-7-5-14(6-8-15)19(2,3)4/h5-11,21H,12H2,1-4H3,(H,22,23).
What are the key properties of N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide?
N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112997620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).