N-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide

C19H21ClN2O2S — CID 174378326

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide
SMILESCCC(N)=O.COc1ccc(CNc2cccc3sccc23)cc1Cl
InChIInChI=1S/C16H14ClNOS.C3H7NO/c1-19-15-6-5-11(9-13(15)17)10-18-14-3-2-4-16-12(14)7-8-20-16;1-2-3(4)5/h2-9,18H,10H2,1H3;2H2,1H3,(H2,4,5)
InChIKeyMSCCDIBNHKMGFT-UHFFFAOYSA-N
MW376.91 g/mol
LogP5.06
Rot. Bonds5

About N-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide

N-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide (PubChem CID 174378326) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide
PubChem CID174378326
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide
SMILESCCC(N)=O.COc1ccc(CNc2cccc3sccc23)cc1Cl
InChIInChI=1S/C16H14ClNOS.C3H7NO/c1-19-15-6-5-11(9-13(15)17)10-18-14-3-2-4-16-12(14)7-8-20-16;1-2-3(4)5/h2-9,18H,10H2,1H3;2H2,1H3,(H2,4,5)
InChIKeyMSCCDIBNHKMGFT-UHFFFAOYSA-N
XLogP5.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.91
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide (CID 174378326) is N-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide is CCC(N)=O.COc1ccc(CNc2cccc3sccc23)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide?
The InChIKey is MSCCDIBNHKMGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS.C3H7NO/c1-19-15-6-5-11(9-13(15)17)10-18-14-3-2-4-16-12(14)7-8-20-16;1-2-3(4)5/h2-9,18H,10H2,1H3;2H2,1H3,(H2,4,5).
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide?
N-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide has a molecular weight of 376.91 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-1-benzothiophen-4-amine;propanamide is sourced from PubChem (CID 174378326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).