2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide

C16H19ClN2OS — CID 9294268

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CN(C)Cc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C16H19ClN2OS/c1-12(13-6-4-3-5-7-13)18-16(20)11-19(2)10-14-8-9-15(17)21-14/h3-9,12H,10-11H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyCOTORTXCXKZIAV-LBPRGKRZSA-N
MW322.86 g/mol
LogP3.71
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 9294268) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID9294268
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CN(C)Cc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C16H19ClN2OS/c1-12(13-6-4-3-5-7-13)18-16(20)11-19(2)10-14-8-9-15(17)21-14/h3-9,12H,10-11H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyCOTORTXCXKZIAV-LBPRGKRZSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 9298310
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 9299053
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 84973908
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide
CID 34093228
2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 18197678
2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9198212
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9262117
N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 78821067

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide (CID 9294268) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)CN(C)Cc1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is COTORTXCXKZIAV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-12(13-6-4-3-5-7-13)18-16(20)11-19(2)10-14-8-9-15(17)21-14/h3-9,12H,10-11H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 322.86 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 9294268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).