2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide

C18H22N2OS — CID 53383652

IUPAC2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide
SMILESNc1sc(Cc2ccccc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C18H22N2OS/c19-17-16(18(21)20-14-9-5-2-6-10-14)12-15(22-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11,19H2,(H,20,21)
InChIKeySAXBTWNNBKJBDI-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.98
Rot. Bonds4

About 2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide

2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide (PubChem CID 53383652) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide
PubChem CID53383652
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide
SMILESNc1sc(Cc2ccccc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C18H22N2OS/c19-17-16(18(21)20-14-9-5-2-6-10-14)12-15(22-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11,19H2,(H,20,21)
InChIKeySAXBTWNNBKJBDI-UHFFFAOYSA-N
XLogP3.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-phenylthiophene-3-carboxamide
CID 703965
2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
2-Benzamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 678544
2-amino-N-phenethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 830161
2-amino-N-cyclopropyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2063322
N-[2-(1-piperidinylcarbonyl)phenyl]-2-thiophenecarboxamide
CID 827614
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
3-butyl-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 1566536
2-Cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 723132
2-(Acetylamino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxamide
CID 887901

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide?
The IUPAC name of 2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide (CID 53383652) is 2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide is Nc1sc(Cc2ccccc2)cc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide?
The InChIKey is SAXBTWNNBKJBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c19-17-16(18(21)20-14-9-5-2-6-10-14)12-15(22-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11,19H2,(H,20,21).
What are the key properties of 2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide?
2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide is sourced from PubChem (CID 53383652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).