4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide

C15H17ClN2OS — CID 119296390

IUPAC4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
SMILESNCCCC(=O)NC(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C15H17ClN2OS/c16-12-7-5-11(6-8-12)15(13-3-2-10-20-13)18-14(19)4-1-9-17/h2-3,5-8,10,15H,1,4,9,17H2,(H,18,19)
InChIKeyBNNUVSXPDCDUMD-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.35
Rot. Bonds6

About 4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide

4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide (PubChem CID 119296390) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
PubChem CID119296390
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
SMILESNCCCC(=O)NC(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C15H17ClN2OS/c16-12-7-5-11(6-8-12)15(13-3-2-10-20-13)18-14(19)4-1-9-17/h2-3,5-8,10,15H,1,4,9,17H2,(H,18,19)
InChIKeyBNNUVSXPDCDUMD-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide 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

3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide
CID 119273511
ethyl 4-[[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-4-oxobutanoate
CID 51954482
3-amino-N-(dithiophen-2-ylmethyl)propanamide
CID 119331298
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 55750496
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55866321
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284784
4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide
CID 71888540
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide
CID 61258454
4-phenylsulfanyl-N-[phenyl(thiophen-2-yl)methyl]butanamide
CID 24683529
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 46829010
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122132392
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 55798758

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide?
The IUPAC name of 4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide (CID 119296390) is 4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide.
What is the SMILES notation for 4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide?
The canonical SMILES for 4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide is NCCCC(=O)NC(c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of 4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide?
The InChIKey is BNNUVSXPDCDUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c16-12-7-5-11(6-8-12)15(13-3-2-10-20-13)18-14(19)4-1-9-17/h2-3,5-8,10,15H,1,4,9,17H2,(H,18,19).
What are the key properties of 4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide?
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide has a molecular weight of 308.83 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide is sourced from PubChem (CID 119296390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).