N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide

C14H21NO3S — CID 112699709

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H21NO3S/c1-18-11-5-8-19-12(11)13(17)15-9-14(10-16)6-3-2-4-7-14/h5,8,16H,2-4,6-7,9-10H2,1H3,(H,15,17)
InChIKeyVBUOXIBDSIDSHB-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.43
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide (PubChem CID 112699709) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide
PubChem CID112699709
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H21NO3S/c1-18-11-5-8-19-12(11)13(17)15-9-14(10-16)6-3-2-4-7-14/h5,8,16H,2-4,6-7,9-10H2,1H3,(H,15,17)
InChIKeyVBUOXIBDSIDSHB-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide
CID 115456415
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide
CID 114758221
N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide
CID 81122084
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 103965168
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide
CID 115362436
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methoxypyridine-4-carboxamide
CID 105063923
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 81127121
N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide
CID 114168687
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide
CID 115364037
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]thiophene-2-carboxamide
CID 103969700

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide (CID 112699709) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NCC1(CO)CCCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide?
The InChIKey is VBUOXIBDSIDSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-18-11-5-8-19-12(11)13(17)15-9-14(10-16)6-3-2-4-7-14/h5,8,16H,2-4,6-7,9-10H2,1H3,(H,15,17).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide has a molecular weight of 283.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 112699709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).