3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide

C15H18N2O4S2 — CID 3243759

IUPAC3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-21-12-4-6-14(7-5-12)23(19,20)17-9-8-15(18)16-11-13-3-2-10-22-13/h2-7,10,17H,8-9,11H2,1H3,(H,16,18)
InChIKeyDRBJGRKYXYTYSF-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.74
Rot. Bonds8

About 3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide

3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 3243759) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID3243759
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Name3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-21-12-4-6-14(7-5-12)23(19,20)17-9-8-15(18)16-11-13-3-2-10-22-13/h2-7,10,17H,8-9,11H2,1H3,(H,16,18)
InChIKeyDRBJGRKYXYTYSF-UHFFFAOYSA-N
XLogP1.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-Methoxy-benzenesulfonyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 1147989
N-(2-methoxybenzyl)-3-(thien-2-ylsulfonyl)propanamide
CID 3237297
N-(3-methoxybenzyl)-4-[(thien-2-ylsulfonyl)amino]butanamide
CID 3244569
N-(2-methoxybenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-3-carboxamide
CID 18104644
4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2169350
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2999542
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9036557
4-methoxy-N-[[1-[(3-methyl-2-thiophenyl)-oxomethyl]-3-piperidinyl]methyl]benzenesulfonamide
CID 16189508
4-methoxy-N-{[1-(2-thienylcarbonyl)-3-piperidinyl]methyl}benzenesulfonamide
CID 16189611
3-(5-Bromothiophene-2-sulfonamido)-N-[(3-methoxyphenyl)methyl]propanamide
CID 15997663
3-(5-Bromothiophene-2-sulfonamido)-N-[(4-methoxyphenyl)methyl]propanamide
CID 24793646
N-cyclopentyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 665629

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide (CID 3243759) is 3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide is COc1ccc(S(=O)(=O)NCCC(=O)NCc2cccs2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is DRBJGRKYXYTYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-21-12-4-6-14(7-5-12)23(19,20)17-9-8-15(18)16-11-13-3-2-10-22-13/h2-7,10,17H,8-9,11H2,1H3,(H,16,18).
What are the key properties of 3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide?
3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 3243759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).