2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide

C19H23FN2O3S — CID 46404131

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)C(NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S/c1-14(2)19(15-9-11-16(20)12-10-15)21-18(23)13-22(3)26(24,25)17-7-5-4-6-8-17/h4-12,14,19H,13H2,1-3H3,(H,21,23)
InChIKeyBKXIQQOXHMDHBH-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.96
Rot. Bonds7

About 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide

2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide (PubChem CID 46404131) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
PubChem CID46404131
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)C(NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S/c1-14(2)19(15-9-11-16(20)12-10-15)21-18(23)13-22(3)26(24,25)17-7-5-4-6-8-17/h4-12,14,19H,13H2,1-3H3,(H,21,23)
InChIKeyBKXIQQOXHMDHBH-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 55779481
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 125053043
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide
CID 17434301
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 55963206
2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46404019
2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43891548
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
CID 2888862
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9483045

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide (CID 46404131) is 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide is CC(C)C(NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
The InChIKey is BKXIQQOXHMDHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-14(2)19(15-9-11-16(20)12-10-15)21-18(23)13-22(3)26(24,25)17-7-5-4-6-8-17/h4-12,14,19H,13H2,1-3H3,(H,21,23).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide has a molecular weight of 378.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 46404131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).