N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide

C25H30N2O2S — CID 123813492

IUPACN-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)C1(C)C=C1
InChIInChI=1S/C25H30N2O2S/c1-18-9-6-7-13-21(18)23(24(29)26-19-10-4-3-5-11-19)27(25(2)14-15-25)22(28)17-20-12-8-16-30-20/h6-9,12-16,19,23H,3-5,10-11,17H2,1-2H3,(H,26,29)
InChIKeySKKROUCCDSZAGM-UHFFFAOYSA-N
MW422.59 g/mol
LogP4.95
Rot. Bonds7

About N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide

N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide (PubChem CID 123813492) has the molecular formula C25H30N2O2S and a molecular weight of 422.59 g/mol. Its IUPAC name is N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
PubChem CID123813492
Molecular FormulaC25H30N2O2S
Molecular Weight422.59 g/mol
Exact Mass422.20
IUPAC NameN-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)C1(C)C=C1
InChIInChI=1S/C25H30N2O2S/c1-18-9-6-7-13-21(18)23(24(29)26-19-10-4-3-5-11-19)27(25(2)14-15-25)22(28)17-20-12-8-16-30-20/h6-9,12-16,19,23H,3-5,10-11,17H2,1-2H3,(H,26,29)
InChIKeySKKROUCCDSZAGM-UHFFFAOYSA-N
XLogP4.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 56645149
methyl 4-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3202850
N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
CID 3202859
N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202650
N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202956
(2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1435992
(2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 25309887
N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methylthiophen-2-yl)acetamide
CID 652619
N-cyclopentyl-2-(2-fluorophenyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202828
(2S)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1441619
(2R)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1441647
(2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1441646

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide (CID 123813492) is N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)C1(C)C=C1.
What is the InChIKey of N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide?
The InChIKey is SKKROUCCDSZAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2S/c1-18-9-6-7-13-21(18)23(24(29)26-19-10-4-3-5-11-19)27(25(2)14-15-25)22(28)17-20-12-8-16-30-20/h6-9,12-16,19,23H,3-5,10-11,17H2,1-2H3,(H,26,29).
What are the key properties of N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide?
N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide has a molecular weight of 422.59 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 123813492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).