N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C16H23NO3S — CID 100815248

IUPACN-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)NC2CCC(O)CC2)sc2c1CCCC2
InChIInChI=1S/C16H23NO3S/c1-20-14-12-4-2-3-5-13(12)21-15(14)16(19)17-10-6-8-11(18)9-7-10/h10-11,18H,2-9H2,1H3,(H,17,19)
InChIKeyXBFTUXVWFPKRDX-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.67
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 100815248) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID100815248
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)NC2CCC(O)CC2)sc2c1CCCC2
InChIInChI=1S/C16H23NO3S/c1-20-14-12-4-2-3-5-13(12)21-15(14)16(19)17-10-6-8-11(18)9-7-10/h10-11,18H,2-9H2,1H3,(H,17,19)
InChIKeyXBFTUXVWFPKRDX-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 91956489
3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956435
3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956438
N-[3-(dimethylamino)propyl]-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 91956538
3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956409
3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide
CID 103424225
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methoxythiophene-2-carboxamide
CID 103419611
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 91956498
N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43389612
[4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 91956582
3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide
CID 81090332
2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 843789

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 100815248) is N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is COc1c(C(=O)NC2CCC(O)CC2)sc2c1CCCC2.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is XBFTUXVWFPKRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-20-14-12-4-2-3-5-13(12)21-15(14)16(19)17-10-6-8-11(18)9-7-10/h10-11,18H,2-9H2,1H3,(H,17,19).
What are the key properties of N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 309.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 100815248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).