N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide

C19H22N2OS — CID 9027524

IUPACN-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NN=C2CCCC[C@H]2C)cc1
InChIInChI=1S/C19H22N2OS/c1-13-7-9-15(10-8-13)16-11-12-23-18(16)19(22)21-20-17-6-4-3-5-14(17)2/h7-12,14H,3-6H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyLAKPPYKBCQWSOS-CQSZACIVSA-N
MW326.47 g/mol
LogP5.02
Rot. Bonds3

About N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide

N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 9027524) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID9027524
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC NameN-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NN=C2CCCC[C@H]2C)cc1
InChIInChI=1S/C19H22N2OS/c1-13-7-9-15(10-8-13)16-11-12-23-18(16)19(22)21-20-17-6-4-3-5-14(17)2/h7-12,14H,3-6H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyLAKPPYKBCQWSOS-CQSZACIVSA-N
XLogP5.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.47
LogP ≤ 55.02
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

N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9122678
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide
CID 6941303
2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 129360183
3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide
CID 9464639
2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 98299823
4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229187
N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 97235885
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120554210
3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 9232770
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 18276754
4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide
CID 6381697

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide (CID 9027524) is N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)NN=C2CCCC[C@H]2C)cc1.
What is the InChIKey of N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is LAKPPYKBCQWSOS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-13-7-9-15(10-8-13)16-11-12-23-18(16)19(22)21-20-17-6-4-3-5-14(17)2/h7-12,14H,3-6H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 326.47 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 9027524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).