2-(4-methoxyphenyl)sulfonyl-N-methylacetamide

C10H13NO4S — CID 47218302

IUPAC2-(4-methoxyphenyl)sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H13NO4S/c1-11-10(12)7-16(13,14)9-5-3-8(15-2)4-6-9/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyNURQUDIBTOGAOC-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.21
Rot. Bonds4

About 2-(4-methoxyphenyl)sulfonyl-N-methylacetamide

2-(4-methoxyphenyl)sulfonyl-N-methylacetamide (PubChem CID 47218302) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-N-methylacetamide
PubChem CID47218302
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-(4-methoxyphenyl)sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H13NO4S/c1-11-10(12)7-16(13,14)9-5-3-8(15-2)4-6-9/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyNURQUDIBTOGAOC-UHFFFAOYSA-N
XLogP0.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
2-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 27449078
2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide
CID 18586190
2-[(4-methoxyphenyl)sulfonylmethyl]prop-2-enoic acid
CID 18459278
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561
N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 86992863
2-methoxy-5-[2-(methylamino)-2-oxoethyl]sulfonylbenzoic acid
CID 43323058
1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone
CID 64642343
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine
CID 117036381
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1488181

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-N-methylacetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-N-methylacetamide (CID 47218302) is 2-(4-methoxyphenyl)sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-N-methylacetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-N-methylacetamide?
The InChIKey is NURQUDIBTOGAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-11-10(12)7-16(13,14)9-5-3-8(15-2)4-6-9/h3-6H,7H2,1-2H3,(H,11,12).
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-N-methylacetamide?
2-(4-methoxyphenyl)sulfonyl-N-methylacetamide has a molecular weight of 243.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-N-methylacetamide is sourced from PubChem (CID 47218302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).