N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide

C16H26N2O2S — CID 119586839

IUPACN-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)NC(CN)CC(C)C)c(C)s1
InChIInChI=1S/C16H26N2O2S/c1-10(2)7-13(9-17)18-16(20)6-5-15(19)14-8-11(3)21-12(14)4/h8,10,13H,5-7,9,17H2,1-4H3,(H,18,20)
InChIKeyYCGNZTUNOVOLQB-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.82
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide

N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide (PubChem CID 119586839) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
PubChem CID119586839
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)NC(CN)CC(C)C)c(C)s1
InChIInChI=1S/C16H26N2O2S/c1-10(2)7-13(9-17)18-16(20)6-5-15(19)14-8-11(3)21-12(14)4/h8,10,13H,5-7,9,17H2,1-4H3,(H,18,20)
InChIKeyYCGNZTUNOVOLQB-UHFFFAOYSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide 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

N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride
CID 119383494
N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
CID 119588182
4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide
CID 96539780
N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 119587580
N-[4-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]phenyl]-3-methylbutanamide
CID 33031537
N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride
CID 119522912
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 18116511
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,5-dimethylthiophene-3-carboxamide
CID 86994687
4-(2,5-dimethylthiophen-3-yl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119431451
N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
CID 63753250
4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide
CID 31556372
4-(2,5-dimethylthiophen-3-yl)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide
CID 31556368

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide (CID 119586839) is N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is Cc1cc(C(=O)CCC(=O)NC(CN)CC(C)C)c(C)s1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The InChIKey is YCGNZTUNOVOLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-10(2)7-13(9-17)18-16(20)6-5-15(19)14-8-11(3)21-12(14)4/h8,10,13H,5-7,9,17H2,1-4H3,(H,18,20).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide has a molecular weight of 310.46 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is sourced from PubChem (CID 119586839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).