2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide

C19H24N2O4S — CID 3139097

IUPAC2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCC(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-15(2)13-20-19(22)14-21(17-11-7-8-12-18(17)25-3)26(23,24)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyBLXHXAFCMQLXQP-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.66
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide (PubChem CID 3139097) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
PubChem CID3139097
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCC(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-15(2)13-20-19(22)14-21(17-11-7-8-12-18(17)25-3)26(23,24)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyBLXHXAFCMQLXQP-UHFFFAOYSA-N
XLogP2.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133185426
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1336294
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 2249335
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43902149
2-(N-acetyl-2-methoxyanilino)-N-(2-methylpropyl)acetamide
CID 113173108
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 24626467
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide
CID 2671816
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
CID 3139224
N-(2-ethylhexyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133185425
2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132743916
3-[N-(benzenesulfonyl)-2-methoxyanilino]propanoic acid
CID 50891113

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide (CID 3139097) is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide is COc1ccccc1N(CC(=O)NCC(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide?
The InChIKey is BLXHXAFCMQLXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15(2)13-20-19(22)14-21(17-11-7-8-12-18(17)25-3)26(23,24)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,20,22).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide?
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 3139097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).