2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide

C17H21ClN2O2S — CID 17478899

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N(C)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C17H21ClN2O2S/c1-12(20(2)11-15-8-9-16(18)23-15)17(21)19-10-13-4-6-14(22-3)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,19,21)
InChIKeyLXGICHRRPKZYFJ-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.55
Rot. Bonds7

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 17478899) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID17478899
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N(C)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C17H21ClN2O2S/c1-12(20(2)11-15-8-9-16(18)23-15)17(21)19-10-13-4-6-14(22-3)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,19,21)
InChIKeyLXGICHRRPKZYFJ-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18093995
N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
CID 51178868
(2R)-2-[(2-chlorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8541611
(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 8595558
(2R)-N-[(4-fluorophenyl)methyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 41375901
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(ethylcarbamoyl)propanamide
CID 18087462
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-ethylphenyl)propan-1-one
CID 63565949
N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide
CID 133149410
methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate
CID 71897211
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 133212989
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213654

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide (CID 17478899) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)C(C)N(C)Cc2ccc(Cl)s2)cc1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is LXGICHRRPKZYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-12(20(2)11-15-8-9-16(18)23-15)17(21)19-10-13-4-6-14(22-3)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,19,21).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 352.89 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 17478899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).