N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C14H20N2O3S — CID 62520738

IUPACN-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NC1(CO)CCCCC1
InChIInChI=1S/C14H20N2O3S/c17-10-14(6-2-1-3-7-14)16-12(18)9-15-13(19)11-5-4-8-20-11/h4-5,8,17H,1-3,6-7,9-10H2,(H,15,19)(H,16,18)
InChIKeyYRJIPTCXMWFVND-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.29
Rot. Bonds5

About N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 62520738) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID62520738
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NC1(CO)CCCCC1
InChIInChI=1S/C14H20N2O3S/c17-10-14(6-2-1-3-7-14)16-12(18)9-15-13(19)11-5-4-8-20-11/h4-5,8,17H,1-3,6-7,9-10H2,(H,15,19)(H,16,18)
InChIKeyYRJIPTCXMWFVND-UHFFFAOYSA-N
XLogP1.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158878
4-[[2-(thiophene-2-carbonylamino)acetyl]amino]thiane-4-carboxylic acid
CID 120531061
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445135
2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid
CID 79844638
N-[1-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 115878434
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364345
N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 111428615
2-acetamido-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519619
N-[(1-ethylcyclobutyl)methyl]thiophene-2-carboxamide
CID 103741423

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 62520738) is N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NC1(CO)CCCCC1.
What is the InChIKey of N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is YRJIPTCXMWFVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-10-14(6-2-1-3-7-14)16-12(18)9-15-13(19)11-5-4-8-20-11/h4-5,8,17H,1-3,6-7,9-10H2,(H,15,19)(H,16,18).
What are the key properties of N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 62520738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).