N-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide

C16H19NO3S — CID 171781598

IUPACN-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCC(O)CC3)sc2c1
InChIInChI=1S/C16H19NO3S/c1-20-13-7-2-10-8-15(21-14(10)9-13)16(19)17-11-3-5-12(18)6-4-11/h2,7-9,11-12,18H,3-6H2,1H3,(H,17,19)
InChIKeyTYJNXXRLMKHBEW-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.94
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide

N-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 171781598) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide
PubChem CID171781598
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCC(O)CC3)sc2c1
InChIInChI=1S/C16H19NO3S/c1-20-13-7-2-10-8-15(21-14(10)9-13)16(19)17-11-3-5-12(18)6-4-11/h2,7-9,11-12,18H,3-6H2,1H3,(H,17,19)
InChIKeyTYJNXXRLMKHBEW-UHFFFAOYSA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 126470999
(4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone
CID 154359392
N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119474300
ethyl 6-methoxy-1-benzothiophene-2-carboxylate
CID 11831419
N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 17472289
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 46249798
3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide
CID 81090332
3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide
CID 675724
7-methoxy-3-(7-methoxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one
CID 67007897
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-cyclopropyl-3-methoxybenzamide
CID 900156

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide (CID 171781598) is N-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide is COc1ccc2cc(C(=O)NC3CCC(O)CC3)sc2c1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is TYJNXXRLMKHBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-20-13-7-2-10-8-15(21-14(10)9-13)16(19)17-11-3-5-12(18)6-4-11/h2,7-9,11-12,18H,3-6H2,1H3,(H,17,19).
What are the key properties of N-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide?
N-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 171781598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).