N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide

C15H18ClN3OS — CID 66386165

IUPACN-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1cccc(Cl)c1N(C)C
InChIInChI=1S/C15H18ClN3OS/c1-10(20)18-12-7-8-21-14(12)9-17-13-6-4-5-11(16)15(13)19(2)3/h4-8,17H,9H2,1-3H3,(H,18,20)
InChIKeyISLYGLJXXWVKIT-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.04
Rot. Bonds5

About N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide

N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide (PubChem CID 66386165) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide
PubChem CID66386165
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1cccc(Cl)c1N(C)C
InChIInChI=1S/C15H18ClN3OS/c1-10(20)18-12-7-8-21-14(12)9-17-13-6-4-5-11(16)15(13)19(2)3/h4-8,17H,9H2,1-3H3,(H,18,20)
InChIKeyISLYGLJXXWVKIT-UHFFFAOYSA-N
XLogP4.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide 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-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide
CID 66387949
1-N-[(3-bromothiophen-2-yl)methyl]-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115380101
N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66384810
3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide
CID 66387930
3-chloro-2-N,2-N-dimethyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
CID 115968319
2,3-dichloro-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 29033859
N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66387889
3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 43739755
4-[(3-acetamidothiophen-2-yl)methylamino]benzoic acid
CID 66387123
3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine
CID 62759450
N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide
CID 66386316
N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide
CID 103028921

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide (CID 66386165) is N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNc1cccc(Cl)c1N(C)C.
What is the InChIKey of N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide?
The InChIKey is ISLYGLJXXWVKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-10(20)18-12-7-8-21-14(12)9-17-13-6-4-5-11(16)15(13)19(2)3/h4-8,17H,9H2,1-3H3,(H,18,20).
What are the key properties of N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide?
N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide has a molecular weight of 323.85 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66386165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).