(2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine

C29H44N4O2S — CID 143177225

IUPAC(2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine
SMILESCN[C@@H](C)C(=O)NC(C(=O)N1CCCCC1C)C1CCCCC1.CNc1sccc1-c1ccccc1
InChIInChI=1S/C18H33N3O2.C11H11NS/c1-13-9-7-8-12-21(13)18(23)16(15-10-5-4-6-11-15)20-17(22)14(2)19-3;1-12-11-10(7-8-13-11)9-5-3-2-4-6-9/h13-16,19H,4-12H2,1-3H3,(H,20,22);2-8,12H,1H3/t13?,14-,16?;/m0./s1
InChIKeyWMLOCFBDDJKRPM-CWMRTFSPSA-N
MW512.76 g/mol
LogP5.52
Rot. Bonds7

About (2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine

(2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine (PubChem CID 143177225) has the molecular formula C29H44N4O2S and a molecular weight of 512.76 g/mol. Its IUPAC name is (2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine.

Molecular Properties

Compound Name(2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine
PubChem CID143177225
Molecular FormulaC29H44N4O2S
Molecular Weight512.76 g/mol
Exact Mass512.32
IUPAC Name(2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine
SMILESCN[C@@H](C)C(=O)NC(C(=O)N1CCCCC1C)C1CCCCC1.CNc1sccc1-c1ccccc1
InChIInChI=1S/C18H33N3O2.C11H11NS/c1-13-9-7-8-12-21(13)18(23)16(15-10-5-4-6-11-15)20-17(22)14(2)19-3;1-12-11-10(7-8-13-11)9-5-3-2-4-6-9/h13-16,19H,4-12H2,1-3H3,(H,20,22);2-8,12H,1H3/t13?,14-,16?;/m0./s1
InChIKeyWMLOCFBDDJKRPM-CWMRTFSPSA-N
XLogP5.52
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.76
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(S)-4-Methyl-2-[4-(4-piperazin-1-yl-phenyl)-thiophen-3-ylamino]-pentanoic acid cyanomethyl-amide
CID 10047261
Proline scaffold, 28
CID 42618125
N-Cyclopentyl-2-[N-(3-fluorophenyl)-2-(thiophen-2-YL)acetamido]-2-(2-methylphenyl)acetamide
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N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
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N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 56923423
N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 68057382
(2S)-N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 68057634
N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 71459238
N-Benzyl-2-[N-(3-fluorophenyl)-2-(thiophen-2-YL)acetamido]-2-(2-methylphenyl)acetamide
CID 3201893
N-Cyclohexyl-2-(4-fluoro-phenyl)-2-[(2-thiophen-3-yl-acetyl)-o-tolyl-amino]-acetamide
CID 3215240
N-Cyclohexyl-2-(4-fluoro-phenyl)-2-[(4-fluoro-phenyl)-(2-thiophen-3-yl-acetyl)-amino]-acetamide
CID 3215244
N-Cyclohexyl-2-phenyl-2-[phenyl-(2-thiophen-3-yl-acetyl)-amino]-acetamide
CID 3215268

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine?
The IUPAC name of (2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine (CID 143177225) is (2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine.
What is the SMILES notation for (2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine?
The canonical SMILES for (2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine is CN[C@@H](C)C(=O)NC(C(=O)N1CCCCC1C)C1CCCCC1.CNc1sccc1-c1ccccc1.
What is the InChIKey of (2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine?
The InChIKey is WMLOCFBDDJKRPM-CWMRTFSPSA-N. The full InChI is InChI=1S/C18H33N3O2.C11H11NS/c1-13-9-7-8-12-21(13)18(23)16(15-10-5-4-6-11-15)20-17(22)14(2)19-3;1-12-11-10(7-8-13-11)9-5-3-2-4-6-9/h13-16,19H,4-12H2,1-3H3,(H,20,22);2-8,12H,1H3/t13?,14-,16?;/m0./s1.
What are the key properties of (2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine?
(2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine has a molecular weight of 512.76 g/mol, XLogP of 5.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-cyclohexyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)propanamide;N-methyl-3-phenylthiophen-2-amine is sourced from PubChem (CID 143177225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).