3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide

C18H22N2O3S2 — CID 55569858

IUPAC3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCCc1cccs1
InChIInChI=1S/C18H22N2O3S2/c21-18(19-12-11-16-2-1-13-24-16)10-5-14-3-8-17(9-4-14)25(22,23)20-15-6-7-15/h1-4,8-9,13,15,20H,5-7,10-12H2,(H,19,21)
InChIKeyWKVIHBPCGITSAD-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.48
Rot. Bonds9

About 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide

3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 55569858) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID55569858
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCCc1cccs1
InChIInChI=1S/C18H22N2O3S2/c21-18(19-12-11-16-2-1-13-24-16)10-5-14-3-8-17(9-4-14)25(22,23)20-15-6-7-15/h1-4,8-9,13,15,20H,5-7,10-12H2,(H,19,21)
InChIKeyWKVIHBPCGITSAD-UHFFFAOYSA-N
XLogP2.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375
N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119404968
N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110790640
N-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide
CID 119046764
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
CID 55570051
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 55947486
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 55570240
3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 110353893
2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110790622
5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31840744
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
CID 36559680

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide (CID 55569858) is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide is O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCCc1cccs1.
What is the InChIKey of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is WKVIHBPCGITSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c21-18(19-12-11-16-2-1-13-24-16)10-5-14-3-8-17(9-4-14)25(22,23)20-15-6-7-15/h1-4,8-9,13,15,20H,5-7,10-12H2,(H,19,21).
What are the key properties of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide?
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 378.52 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 55569858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).