N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide

C19H21NO3S — CID 111446061

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide
SMILESO=C(NCC1(O)CCCCC1)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C19H21NO3S/c21-17(16-9-6-12-24-16)14-7-2-3-8-15(14)18(22)20-13-19(23)10-4-1-5-11-19/h2-3,6-9,12,23H,1,4-5,10-11,13H2,(H,20,22)
InChIKeyKDYIQBKRNKMTQX-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.40
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide

N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide (PubChem CID 111446061) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide
PubChem CID111446061
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide
SMILESO=C(NCC1(O)CCCCC1)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C19H21NO3S/c21-17(16-9-6-12-24-16)14-7-2-3-8-15(14)18(22)20-13-19(23)10-4-1-5-11-19/h2-3,6-9,12,23H,1,4-5,10-11,13H2,(H,20,22)
InChIKeyKDYIQBKRNKMTQX-UHFFFAOYSA-N
XLogP3.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111538677
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 111428615
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide
CID 119513719
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 9401366
N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride
CID 119508490
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide
CID 97013902
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide (CID 111446061) is N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide is O=C(NCC1(O)CCCCC1)c1ccccc1C(=O)c1cccs1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
The InChIKey is KDYIQBKRNKMTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c21-17(16-9-6-12-24-16)14-7-2-3-8-15(14)18(22)20-13-19(23)10-4-1-5-11-19/h2-3,6-9,12,23H,1,4-5,10-11,13H2,(H,20,22).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide has a molecular weight of 343.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide is sourced from PubChem (CID 111446061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).