1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide

C21H28N2O2S — CID 131949619

IUPAC1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide
SMILESCCC(NC(=O)C1(Nc2ccc(OC)cc2)CCCCC1)c1cccs1
InChIInChI=1S/C21H28N2O2S/c1-3-18(19-8-7-15-26-19)22-20(24)21(13-5-4-6-14-21)23-16-9-11-17(25-2)12-10-16/h7-12,15,18,23H,3-6,13-14H2,1-2H3,(H,22,24)
InChIKeyLJCWJMURFXQWRC-UHFFFAOYSA-N
MW372.53 g/mol
LogP5.14
Rot. Bonds7

About 1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide

1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide (PubChem CID 131949619) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide
PubChem CID131949619
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide
SMILESCCC(NC(=O)C1(Nc2ccc(OC)cc2)CCCCC1)c1cccs1
InChIInChI=1S/C21H28N2O2S/c1-3-18(19-8-7-15-26-19)22-20(24)21(13-5-4-6-14-21)23-16-9-11-17(25-2)12-10-16/h7-12,15,18,23H,3-6,13-14H2,1-2H3,(H,22,24)
InChIKeyLJCWJMURFXQWRC-UHFFFAOYSA-N
XLogP5.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.53
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 131902191
methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 54890159
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096618
1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 7018136
1-(4-methoxyanilino)cyclohexane-1-carboxamide
CID 2310511
1-(4-methoxyanilino)cycloheptane-1-carboxamide
CID 54889423
2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide
CID 65241939
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
1-(aminomethyl)-N-(1-thiophen-2-ylbutyl)cyclopentane-1-carboxamide
CID 115435212
N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43093641
dimethyl 2-[(2S)-2-(4-methoxyanilino)-2-thiophen-2-ylethyl]propanedioate
CID 146167349
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide (CID 131949619) is 1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide is CCC(NC(=O)C1(Nc2ccc(OC)cc2)CCCCC1)c1cccs1.
What is the InChIKey of 1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide?
The InChIKey is LJCWJMURFXQWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-3-18(19-8-7-15-26-19)22-20(24)21(13-5-4-6-14-21)23-16-9-11-17(25-2)12-10-16/h7-12,15,18,23H,3-6,13-14H2,1-2H3,(H,22,24).
What are the key properties of 1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide?
1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide has a molecular weight of 372.53 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 131949619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).