N-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide

C15H25N3O3S — CID 119605589

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide
SMILESCC(C)C(C)(CN)NC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H25N3O3S/c1-12(2)15(3,11-16)17-14(19)10-18(4)22(20,21)13-8-6-5-7-9-13/h5-9,12H,10-11,16H2,1-4H3,(H,17,19)
InChIKeyPBBVKBFNHZUOMH-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.80
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide (PubChem CID 119605589) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide
PubChem CID119605589
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide
SMILESCC(C)C(C)(CN)NC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H25N3O3S/c1-12(2)15(3,11-16)17-14(19)10-18(4)22(20,21)13-8-6-5-7-9-13/h5-9,12H,10-11,16H2,1-4H3,(H,17,19)
InChIKeyPBBVKBFNHZUOMH-UHFFFAOYSA-N
XLogP0.80
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide
CID 95382709
2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
CID 40604128
2-[acetyl(methyl)amino]-N-(1-amino-2,3-dimethylbutan-2-yl)acetamide
CID 119607894
2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 133187458
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxyacetamide;hydrochloride
CID 119605895
N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119569250
2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43891548
2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46404019
N-tert-butyl-2-[methyl-(2-phenylphenyl)sulfonylamino]acetamide
CID 86922586
2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide
CID 119429589
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46404131

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide (CID 119605589) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide is CC(C)C(C)(CN)NC(=O)CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide?
The InChIKey is PBBVKBFNHZUOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-12(2)15(3,11-16)17-14(19)10-18(4)22(20,21)13-8-6-5-7-9-13/h5-9,12H,10-11,16H2,1-4H3,(H,17,19).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide has a molecular weight of 327.45 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide is sourced from PubChem (CID 119605589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).