N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide

C14H21NO2S — CID 114146362

IUPACN-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(O)CC2)c(C)s1
InChIInChI=1S/C14H21NO2S/c1-9-7-13(10(2)18-9)14(17)15-8-11-3-5-12(16)6-4-11/h7,11-12,16H,3-6,8H2,1-2H3,(H,15,17)
InChIKeyYVJPZVHWGNIDKU-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.65
Rot. Bonds3

About N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide

N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide (PubChem CID 114146362) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide
PubChem CID114146362
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(O)CC2)c(C)s1
InChIInChI=1S/C14H21NO2S/c1-9-7-13(10(2)18-9)14(17)15-8-11-3-5-12(16)6-4-11/h7,11-12,16H,3-6,8H2,1-2H3,(H,15,17)
InChIKeyYVJPZVHWGNIDKU-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 95303166
N-[(4-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 106123427
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 106124243
4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 114146256
3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 114146596
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078
2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid
CID 43354495
N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide
CID 47439097
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106121963

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide (CID 114146362) is N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)NCC2CCC(O)CC2)c(C)s1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is YVJPZVHWGNIDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9-7-13(10(2)18-9)14(17)15-8-11-3-5-12(16)6-4-11/h7,11-12,16H,3-6,8H2,1-2H3,(H,15,17).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide?
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 267.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 114146362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).