N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

C17H27N3O4S — CID 55947271

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCCC(C)NC(=O)CCNC(=O)CCc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C17H27N3O4S/c1-4-13(2)20-17(22)11-12-19-16(21)10-7-14-5-8-15(9-6-14)25(23,24)18-3/h5-6,8-9,13,18H,4,7,10-12H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyWIYDCHNBPPGHCO-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.95
Rot. Bonds10

About N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 55947271) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID55947271
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCCC(C)NC(=O)CCNC(=O)CCc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C17H27N3O4S/c1-4-13(2)20-17(22)11-12-19-16(21)10-7-14-5-8-15(9-6-14)25(23,24)18-3/h5-6,8-9,13,18H,4,7,10-12H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyWIYDCHNBPPGHCO-UHFFFAOYSA-N
XLogP0.95
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]pentanoic acid
CID 119193799
2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119225063
3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]butanoic acid
CID 119169867
N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51181244
N-[3-(4-bromoanilino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55951072
N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180667
N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18104745
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402388
N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51187566
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide
CID 55948548
3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43873885

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 55947271) is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is CCC(C)NC(=O)CCNC(=O)CCc1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is WIYDCHNBPPGHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-4-13(2)20-17(22)11-12-19-16(21)10-7-14-5-8-15(9-6-14)25(23,24)18-3/h5-6,8-9,13,18H,4,7,10-12H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 369.49 g/mol, XLogP of 0.95, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 55947271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).