N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide

C17H22N2OS — CID 97229162

IUPACN-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN[C@@H](C)Cc1ccsc1
InChIInChI=1S/C17H22N2OS/c1-12-5-4-6-13(2)17(12)19-16(20)10-18-14(3)9-15-7-8-21-11-15/h4-8,11,14,18H,9-10H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyJYLDHIHPOQQMMP-AWEZNQCLSA-N
MW302.44 g/mol
LogP3.52
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide

N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide (PubChem CID 97229162) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide
PubChem CID97229162
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN[C@@H](C)Cc1ccsc1
InChIInChI=1S/C17H22N2OS/c1-12-5-4-6-13(2)17(12)19-16(20)10-18-14(3)9-15-7-8-21-11-15/h4-8,11,14,18H,9-10H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyJYLDHIHPOQQMMP-AWEZNQCLSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473952
N-(5-chloro-2-methylphenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61474079
N-(4-methoxyphenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473826
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
N-cyclopentyl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953333
N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953236
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467206
N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 2603904
N-methyl-N-propan-2-yl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953332
N-(2-amino-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 43152262
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide
CID 30492683
2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine
CID 79168411

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide (CID 97229162) is N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide is Cc1cccc(C)c1NC(=O)CN[C@@H](C)Cc1ccsc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide?
The InChIKey is JYLDHIHPOQQMMP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-5-4-6-13(2)17(12)19-16(20)10-18-14(3)9-15-7-8-21-11-15/h4-8,11,14,18H,9-10H2,1-3H3,(H,19,20)/t14-/m0/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide?
N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide has a molecular weight of 302.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide is sourced from PubChem (CID 97229162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).