3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide

C19H27N3O4S — CID 110353893

IUPAC3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCC(=O)NC1CC1
InChIInChI=1S/C19H27N3O4S/c23-18(20-13-19(24)21-15-8-9-15)12-7-14-5-10-17(11-6-14)27(25,26)22-16-3-1-2-4-16/h5-6,10-11,15-16,22H,1-4,7-9,12-13H2,(H,20,23)(H,21,24)
InChIKeyUAGVEBKLTCELIU-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.23
Rot. Bonds9

About 3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide

3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide (PubChem CID 110353893) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
PubChem CID110353893
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCC(=O)NC1CC1
InChIInChI=1S/C19H27N3O4S/c23-18(20-13-19(24)21-15-8-9-15)12-7-14-5-10-17(11-6-14)27(25,26)22-16-3-1-2-4-16/h5-6,10-11,15-16,22H,1-4,7-9,12-13H2,(H,20,23)(H,21,24)
InChIKeyUAGVEBKLTCELIU-UHFFFAOYSA-N
XLogP1.23
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 55947486
N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
3-[4-(cyclopropylsulfamoyl)phenyl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424393
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
CID 55570051
N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119404968
N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 1211157
3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110355634
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 126236174
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 55569858

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide (CID 110353893) is 3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide is O=C(CCc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCC(=O)NC1CC1.
What is the InChIKey of 3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
The InChIKey is UAGVEBKLTCELIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c23-18(20-13-19(24)21-15-8-9-15)12-7-14-5-10-17(11-6-14)27(25,26)22-16-3-1-2-4-16/h5-6,10-11,15-16,22H,1-4,7-9,12-13H2,(H,20,23)(H,21,24).
What are the key properties of 3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide has a molecular weight of 393.51 g/mol, XLogP of 1.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 110353893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).