N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide

C27H30N2O2S — CID 3202956

IUPACN-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
SMILESCc1cccc(C)c1N(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C27H30N2O2S/c1-19-10-8-11-20(2)25(19)29(24(30)18-23-16-9-17-32-23)26(21-12-4-3-5-13-21)27(31)28-22-14-6-7-15-22/h3-5,8-13,16-17,22,26H,6-7,14-15,18H2,1-2H3,(H,28,31)
InChIKeyHHGMMBQOSQOIRP-UHFFFAOYSA-N
MW446.62 g/mol
LogP5.74
Rot. Bonds7

About N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide

N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide (PubChem CID 3202956) has the molecular formula C27H30N2O2S and a molecular weight of 446.62 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
PubChem CID3202956
Molecular FormulaC27H30N2O2S
Molecular Weight446.62 g/mol
Exact Mass446.20
IUPAC NameN-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
SMILESCc1cccc(C)c1N(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C27H30N2O2S/c1-19-10-8-11-20(2)25(19)29(24(30)18-23-16-9-17-32-23)26(21-12-4-3-5-13-21)27(31)28-22-14-6-7-15-22/h3-5,8-13,16-17,22,26H,6-7,14-15,18H2,1-2H3,(H,28,31)
InChIKeyHHGMMBQOSQOIRP-UHFFFAOYSA-N
XLogP5.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.62
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202609
N-cyclopentyl-2-pyridin-4-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202608
(2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1435992
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3202881
N-cyclopentyl-2-(3-methoxyphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202719
N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202943
2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 3202898
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 3202897
(2S)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1441619
(2S)-N-cyclohexyl-2-(4-hydroxyphenyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1168238
N-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 163543998

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
The IUPAC name of N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide (CID 3202956) is N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
The canonical SMILES for N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide is Cc1cccc(C)c1N(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1ccccc1.
What is the InChIKey of N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
The InChIKey is HHGMMBQOSQOIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2S/c1-19-10-8-11-20(2)25(19)29(24(30)18-23-16-9-17-32-23)26(21-12-4-3-5-13-21)27(31)28-22-14-6-7-15-22/h3-5,8-13,16-17,22,26H,6-7,14-15,18H2,1-2H3,(H,28,31).
What are the key properties of N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide has a molecular weight of 446.62 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide is sourced from PubChem (CID 3202956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).