N-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

C16H25NO2S — CID 103713134

IUPACN-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C16H25NO2S/c1-3-9-16(2,19)11-17-15(18)14-10-12-7-5-4-6-8-13(12)20-14/h10,19H,3-9,11H2,1-2H3,(H,17,18)
InChIKeySBADGCYRPLHQRD-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.30
Rot. Bonds5

About N-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

N-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (PubChem CID 103713134) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
PubChem CID103713134
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C16H25NO2S/c1-3-9-16(2,19)11-17-15(18)14-10-12-7-5-4-6-8-13(12)20-14/h10,19H,3-9,11H2,1-2H3,(H,17,18)
InChIKeySBADGCYRPLHQRD-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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

3-hydroxy-3-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)butanoic acid
CID 66003512
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 103840208
N-(3-bromo-2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 115364958
N-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-2-carboxamide
CID 155770296
N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 39903793
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 111698223
N-(2-hydroxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 43389911
N-[(2S)-2-hydroxypropyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 83030886
N-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 43391481
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 111458582
(2S)-2-hydroxy-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)propanoic acid
CID 114006422
4-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)-2-methylbutanoic acid
CID 80537337

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (CID 103713134) is N-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is CCCC(C)(O)CNC(=O)c1cc2c(s1)CCCCC2.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The InChIKey is SBADGCYRPLHQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-9-16(2,19)11-17-15(18)14-10-12-7-5-4-6-8-13(12)20-14/h10,19H,3-9,11H2,1-2H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
N-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is sourced from PubChem (CID 103713134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).