N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide

C19H15Cl2NO2S2 — CID 55750496

IUPACN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NC(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C19H15Cl2NO2S2/c20-13-5-3-12(4-6-13)19(16-2-1-11-25-16)22-18(24)10-7-14(23)15-8-9-17(21)26-15/h1-6,8-9,11,19H,7,10H2,(H,22,24)
InChIKeyIAKDFTDDCMGHMO-UHFFFAOYSA-N
MW424.37 g/mol
LogP5.99
Rot. Bonds7

About N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide (PubChem CID 55750496) has the molecular formula C19H15Cl2NO2S2 and a molecular weight of 424.37 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
PubChem CID55750496
Molecular FormulaC19H15Cl2NO2S2
Molecular Weight424.37 g/mol
Exact Mass422.99
IUPAC NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NC(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C19H15Cl2NO2S2/c20-13-5-3-12(4-6-13)19(16-2-1-11-25-16)22-18(24)10-7-14(23)15-8-9-17(21)26-15/h1-6,8-9,11,19H,7,10H2,(H,22,24)
InChIKeyIAKDFTDDCMGHMO-UHFFFAOYSA-N
XLogP5.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.37
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-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

4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390
ethyl 4-[[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-4-oxobutanoate
CID 51954482
3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide
CID 119273511
4-(5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 42937336
4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide
CID 46652279
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7583413
N-[1-(4-chlorophenyl)ethyl]-4,7-dioxo-7-thiophen-2-ylheptanamide
CID 42956084
N-[(1S)-1-(4-chlorophenyl)ethyl]-4,7-dioxo-7-thiophen-2-ylheptanamide
CID 39920108
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 46829010
(3S)-3-acetamido-3-(4-chlorophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]propanamide
CID 41355345
3-acetamido-3-(4-bromophenyl)-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]propanamide
CID 112830065
3-amino-N-(dithiophen-2-ylmethyl)propanamide
CID 119331298

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide (CID 55750496) is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)s1)NC(c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
The InChIKey is IAKDFTDDCMGHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO2S2/c20-13-5-3-12(4-6-13)19(16-2-1-11-25-16)22-18(24)10-7-14(23)15-8-9-17(21)26-15/h1-6,8-9,11,19H,7,10H2,(H,22,24).
What are the key properties of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide has a molecular weight of 424.37 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 55750496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).