1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one

C16H18ClNOS — CID 62050574

IUPAC1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one
SMILESCc1ccc(CN(C)C(C)C(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C16H18ClNOS/c1-11-4-6-13(7-5-11)10-18(3)12(2)16(19)14-8-9-15(17)20-14/h4-9,12H,10H2,1-3H3
InChIKeyDFXIDPLJMVRVTD-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.41
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one

1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one (PubChem CID 62050574) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one
PubChem CID62050574
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one
SMILESCc1ccc(CN(C)C(C)C(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C16H18ClNOS/c1-11-4-6-13(7-5-11)10-18(3)12(2)16(19)14-8-9-15(17)20-14/h4-9,12H,10H2,1-3H3
InChIKeyDFXIDPLJMVRVTD-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one 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

1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one
CID 62051006
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62051390
3-[[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]methyl]benzonitrile
CID 62981876
1-(5-chlorothiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]propan-1-one
CID 79485799
2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one
CID 64866924
3-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]-N-methylpropanamide
CID 106916452
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18093995
2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43795957
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-ethylphenyl)propan-1-one
CID 63565949
1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62036547
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
1-(5-chlorothiophen-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43329248

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one (CID 62050574) is 1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one is Cc1ccc(CN(C)C(C)C(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one?
The InChIKey is DFXIDPLJMVRVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-11-4-6-13(7-5-11)10-18(3)12(2)16(19)14-8-9-15(17)20-14/h4-9,12H,10H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one?
1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one has a molecular weight of 307.85 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one is sourced from PubChem (CID 62050574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).