N-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide

C14H15NO4S2 — CID 3242326

IUPACN-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide
SMILESCOc1cccc(NC(=O)CCS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H15NO4S2/c1-19-12-5-2-4-11(10-12)15-13(16)7-9-21(17,18)14-6-3-8-20-14/h2-6,8,10H,7,9H2,1H3,(H,15,16)
InChIKeyOACALINOSGXHPE-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.56
Rot. Bonds6

About N-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide

N-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide (PubChem CID 3242326) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide
PubChem CID3242326
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC NameN-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide
SMILESCOc1cccc(NC(=O)CCS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H15NO4S2/c1-19-12-5-2-4-11(10-12)15-13(16)7-9-21(17,18)14-6-3-8-20-14/h2-6,8,10H,7,9H2,1H3,(H,15,16)
InChIKeyOACALINOSGXHPE-UHFFFAOYSA-N
XLogP2.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 790310
N-(3-ethoxyphenyl)-2-(2-thienyl)acetamide
CID 898929
N-(3-methoxyphenyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 5322906
3-(5-bromanylthiophen-2-yl)sulfonyl-N-(2,5-diethoxyphenyl)propanamide
CID 9551132
3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide
CID 15988713
N-(2,5-dimethoxyphenyl)-2-(2-thienyl)acetamide
CID 531788
N-(4-methoxyphenyl)-2-(phenylsulfonyl)acetamide
CID 893006
N-(3,5-dimethoxyphenyl)-2-thiophenecarboxamide
CID 644722
N-(3-methoxyphenyl)-2-(thiophen-2-yl)acetamide
CID 649716
N-(3,5-dimethoxyphenyl)-2-(2-thienyl)acetamide
CID 869610
N~1~-(4-methoxyphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3241065
N-(3-methoxyphenyl)-N'-thien-2-ylurea
CID 3242644

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide (CID 3242326) is N-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide is COc1cccc(NC(=O)CCS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide?
The InChIKey is OACALINOSGXHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-19-12-5-2-4-11(10-12)15-13(16)7-9-21(17,18)14-6-3-8-20-14/h2-6,8,10H,7,9H2,1H3,(H,15,16).
What are the key properties of N-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide?
N-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide has a molecular weight of 325.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide is sourced from PubChem (CID 3242326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).