N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide

C15H17ClN2O2S — CID 102976816

IUPACN-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(NC(C)c2csc(Cl)c2)c1
InChIInChI=1S/C15H17ClN2O2S/c1-10(11-6-14(16)21-9-11)17-12-4-3-5-13(7-12)18-15(19)8-20-2/h3-7,9-10,17H,8H2,1-2H3,(H,18,19)
InChIKeyPXPHXKXPZXLTRN-UHFFFAOYSA-N
MW324.83 g/mol
LogP4.16
Rot. Bonds6

About N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide

N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide (PubChem CID 102976816) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide
PubChem CID102976816
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(NC(C)c2csc(Cl)c2)c1
InChIInChI=1S/C15H17ClN2O2S/c1-10(11-6-14(16)21-9-11)17-12-4-3-5-13(7-12)18-15(19)8-20-2/h3-7,9-10,17H,8H2,1-2H3,(H,18,19)
InChIKeyPXPHXKXPZXLTRN-UHFFFAOYSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide 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-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methoxyacetamide
CID 43713201
2-methoxy-N-[3-(2-methylpentan-3-ylamino)phenyl]acetamide
CID 43784507
N-[3-(1-cyclopropylethylamino)phenyl]-2-methoxyacetamide
CID 43713200
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide
CID 39862378
N-[1-(5-chlorothiophen-3-yl)ethyl]-3-ethynylaniline
CID 114082603
N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide
CID 102976770
N-[3-(1-cyclohexylethylamino)phenyl]-2-methoxyacetamide
CID 43784509
3-chloro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46879470
(2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide
CID 95616058
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide
CID 46579661
methyl N-[3-(1-phenylethylamino)phenyl]carbamate
CID 60942216

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide (CID 102976816) is N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(NC(C)c2csc(Cl)c2)c1.
What is the InChIKey of N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide?
The InChIKey is PXPHXKXPZXLTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10(11-6-14(16)21-9-11)17-12-4-3-5-13(7-12)18-15(19)8-20-2/h3-7,9-10,17H,8H2,1-2H3,(H,18,19).
What are the key properties of N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide?
N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide has a molecular weight of 324.83 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 102976816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).