2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide

C19H23ClN2O3S — CID 4200682

IUPAC2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide
SMILESCc1c(Cl)cccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-14-16(20)11-8-12-17(14)22(13-18(23)21-19(2,3)4)26(24,25)15-9-6-5-7-10-15/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyZRCZHCSLWNSSIR-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.76
Rot. Bonds5

About 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide

2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide (PubChem CID 4200682) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide
PubChem CID4200682
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide
SMILESCc1c(Cl)cccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-14-16(20)11-8-12-17(14)22(13-18(23)21-19(2,3)4)26(24,25)15-9-6-5-7-10-15/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyZRCZHCSLWNSSIR-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(2R)-butan-2-yl]acetamide
CID 7448271
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(3,4-dichlorophenyl)acetamide
CID 21371863
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(2-methylphenyl)methyl]acetamide
CID 1337995
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43902097
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2279103
2-[[2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]acetyl]-(2-phenylethyl)amino]-N-tert-butylpropanamide
CID 132743476
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide
CID 2270999
N-tert-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 3130608
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide
CID 846509
2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide
CID 51345177
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880869
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100717156

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide (CID 4200682) is 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide is Cc1c(Cl)cccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide?
The InChIKey is ZRCZHCSLWNSSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-16(20)11-8-12-17(14)22(13-18(23)21-19(2,3)4)26(24,25)15-9-6-5-7-10-15/h5-12H,13H2,1-4H3,(H,21,23).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide?
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide has a molecular weight of 394.92 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide is sourced from PubChem (CID 4200682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).