N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide

C19H22N2OS — CID 3638697

IUPACN-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide
SMILESCC(=NNC(=O)c1cccs1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H22N2OS/c1-14(20-21-19(22)18-8-5-13-23-18)15-9-11-17(12-10-15)16-6-3-2-4-7-16/h5,8-13,16H,2-4,6-7H2,1H3,(H,21,22)
InChIKeyNSAKFUGWHGJGOM-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.95
Rot. Bonds4

About N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide

N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide (PubChem CID 3638697) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide
PubChem CID3638697
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC NameN-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide
SMILESCC(=NNC(=O)c1cccs1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H22N2OS/c1-14(20-21-19(22)18-8-5-13-23-18)15-9-11-17(12-10-15)16-6-3-2-4-7-16/h5,8-13,16H,2-4,6-7H2,1H3,(H,21,22)
InChIKeyNSAKFUGWHGJGOM-UHFFFAOYSA-N
XLogP4.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 6256670
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide
CID 4581588
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 4298976
N-[4-[N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 5099209
2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9176423
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6144551
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]thiophene-2-carboxamide
CID 6149852
N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402037
N-[4-[N-[(4-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3558400
N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 761702
4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 3435837

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide (CID 3638697) is N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide is CC(=NNC(=O)c1cccs1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide?
The InChIKey is NSAKFUGWHGJGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-14(20-21-19(22)18-8-5-13-23-18)15-9-11-17(12-10-15)16-6-3-2-4-7-16/h5,8-13,16H,2-4,6-7H2,1H3,(H,21,22).
What are the key properties of N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide?
N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide has a molecular weight of 326.47 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 3638697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).