N-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide

C19H25NO3S — CID 71189469

IUPACN-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1([C@H]2C=CSC2)CCC(O)CC1
InChIInChI=1S/C19H25NO3S/c1-23-17-5-3-2-4-16(17)18(22)20-13-19(14-8-11-24-12-14)9-6-15(21)7-10-19/h2-5,8,11,14-15,21H,6-7,9-10,12-13H2,1H3,(H,20,22)/t14-,15?,19?/m0/s1
InChIKeyAZGQXSSIBVYFPP-XVTSOASTSA-N
MW347.48 g/mol
LogP3.22
Rot. Bonds5

About N-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide

N-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide (PubChem CID 71189469) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide
PubChem CID71189469
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC NameN-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1([C@H]2C=CSC2)CCC(O)CC1
InChIInChI=1S/C19H25NO3S/c1-23-17-5-3-2-4-16(17)18(22)20-13-19(14-8-11-24-12-14)9-6-15(21)7-10-19/h2-5,8,11,14-15,21H,6-7,9-10,12-13H2,1H3,(H,20,22)/t14-,15?,19?/m0/s1
InChIKeyAZGQXSSIBVYFPP-XVTSOASTSA-N
XLogP3.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate
CID 71189462
bis(N-[(4-hydroxy-1-thiophen-2-ylcyclohexyl)methyl]-2-methoxybenzamide);2-methoxy-N-[(4-oxo-1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 158858719
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
(1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone
CID 175275653
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methoxybenzamide
CID 90581070
N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide
CID 22240946
N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111539711

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide (CID 71189469) is N-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC1([C@H]2C=CSC2)CCC(O)CC1.
What is the InChIKey of N-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide?
The InChIKey is AZGQXSSIBVYFPP-XVTSOASTSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-23-17-5-3-2-4-16(17)18(22)20-13-19(14-8-11-24-12-14)9-6-15(21)7-10-19/h2-5,8,11,14-15,21H,6-7,9-10,12-13H2,1H3,(H,20,22)/t14-,15?,19?/m0/s1.
What are the key properties of N-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide?
N-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide has a molecular weight of 347.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 71189469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).