3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide

C18H27N3O4S — CID 55977375

IUPAC3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
SMILESCCCNC(=O)CCNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-2-12-19-18(23)11-13-20-17(22)10-5-14-3-8-16(9-4-14)26(24,25)21-15-6-7-15/h3-4,8-9,15,21H,2,5-7,10-13H2,1H3,(H,19,23)(H,20,22)
InChIKeyDECCUIACKBXXKN-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.09
Rot. Bonds11

About 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide (PubChem CID 55977375) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
PubChem CID55977375
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
SMILESCCCNC(=O)CCNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-2-12-19-18(23)11-13-20-17(22)10-5-14-3-8-16(9-4-14)26(24,25)21-15-6-7-15/h3-4,8-9,15,21H,2,5-7,10-13H2,1H3,(H,19,23)(H,20,22)
InChIKeyDECCUIACKBXXKN-UHFFFAOYSA-N
XLogP1.09
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119404968
3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide
CID 2224602
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 55569858
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
CID 55570051
3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 110353893
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 55947486
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 55959827
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 55570240
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)propanamide
CID 56523769
N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 30829010
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
[2-(butylamino)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 30810938

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide?
The IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide (CID 55977375) is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide.
What is the SMILES notation for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide?
The canonical SMILES for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide is CCCNC(=O)CCNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide?
The InChIKey is DECCUIACKBXXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-2-12-19-18(23)11-13-20-17(22)10-5-14-3-8-16(9-4-14)26(24,25)21-15-6-7-15/h3-4,8-9,15,21H,2,5-7,10-13H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide?
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide has a molecular weight of 381.50 g/mol, XLogP of 1.09, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide is sourced from PubChem (CID 55977375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).