5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide

C14H20N2O3S — CID 103860423

IUPAC5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCCCC2CO)s1
InChIInChI=1S/C14H20N2O3S/c1-9(18)15-13-7-6-12(20-13)14(19)16-11-5-3-2-4-10(11)8-17/h6-7,10-11,17H,2-5,8H2,1H3,(H,15,18)(H,16,19)
InChIKeyILIJVXGBSKHABY-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.99
Rot. Bonds4

About 5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide

5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 103860423) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
PubChem CID103860423
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCCCC2CO)s1
InChIInChI=1S/C14H20N2O3S/c1-9(18)15-13-7-6-12(20-13)14(19)16-11-5-3-2-4-10(11)8-17/h6-7,10-11,17H,2-5,8H2,1H3,(H,15,18)(H,16,19)
InChIKeyILIJVXGBSKHABY-UHFFFAOYSA-N
XLogP1.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide
CID 17489066
5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 18291995
5-(cyclopropanecarbonylamino)-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 24658652
5-[(3-fluorobenzoyl)amino]-N-(4-methoxybutan-2-yl)-3-methylthiophene-2-carboxamide
CID 56343707
5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide
CID 78896808
5-[(3-fluorobenzoyl)amino]-N-(3-hydroxypropyl)-3-methylthiophene-2-carboxamide
CID 78898285
5-acetamido-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide
CID 104857645
3-[[5-[(3-Fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]-2-methylbutanoic acid
CID 121874156
5-(cyclopropanecarbonylamino)-3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide
CID 17514573
Cyclohexyl-[3-ethanimidoyl-5-[[4-(hydroxymethyl)cyclohexyl]carbamoyl]thiophen-2-yl]azanium
CID 143163393
5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide
CID 143163423
5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 16618767

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide (CID 103860423) is 5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NC2CCCCC2CO)s1.
What is the InChIKey of 5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is ILIJVXGBSKHABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9(18)15-13-7-6-12(20-13)14(19)16-11-5-3-2-4-10(11)8-17/h6-7,10-11,17H,2-5,8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide?
5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 103860423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).