N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide

C14H22N2O3S — CID 112995226

IUPACN-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccccc1S(=O)(=O)NCC(=O)NCCC(C)C
InChIInChI=1S/C14H22N2O3S/c1-11(2)8-9-15-14(17)10-16-20(18,19)13-7-5-4-6-12(13)3/h4-7,11,16H,8-10H2,1-3H3,(H,15,17)
InChIKeyLHKWJQRSCGCDSL-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.44
Rot. Bonds7

About N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide

N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide (PubChem CID 112995226) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
PubChem CID112995226
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccccc1S(=O)(=O)NCC(=O)NCCC(C)C
InChIInChI=1S/C14H22N2O3S/c1-11(2)8-9-15-14(17)10-16-20(18,19)13-7-5-4-6-12(13)3/h4-7,11,16H,8-10H2,1-3H3,(H,15,17)
InChIKeyLHKWJQRSCGCDSL-UHFFFAOYSA-N
XLogP1.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994846
2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993044
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995202
N-(4-chlorophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112997960
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112997077
N-(3-acetamidophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999723
N-(4-acetylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999662
2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991400
2-[(2-bromophenyl)sulfonylamino]-N-propylacetamide
CID 18192043
N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide
CID 119498376

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide (CID 112995226) is N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide is Cc1ccccc1S(=O)(=O)NCC(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide?
The InChIKey is LHKWJQRSCGCDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(2)8-9-15-14(17)10-16-20(18,19)13-7-5-4-6-12(13)3/h4-7,11,16H,8-10H2,1-3H3,(H,15,17).
What are the key properties of N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide?
N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112995226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).