[5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate

C24H31ClN2O3S — CID 167071087

IUPAC[5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate
SMILESCc1nc(-c2sc(Cl)cc2COC(=O)N(C)CCC2CC2)ccc1OC1CCCCC1
InChIInChI=1S/C24H31ClN2O3S/c1-16-21(30-19-6-4-3-5-7-19)11-10-20(26-16)23-18(14-22(25)31-23)15-29-24(28)27(2)13-12-17-8-9-17/h10-11,14,17,19H,3-9,12-13,15H2,1-2H3
InChIKeyHPKXRFDDKHKAOY-UHFFFAOYSA-N
MW463.04 g/mol
LogP6.85
Rot. Bonds8

About [5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate

[5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate (PubChem CID 167071087) has the molecular formula C24H31ClN2O3S and a molecular weight of 463.04 g/mol. Its IUPAC name is [5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate.

Molecular Properties

Compound Name[5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate
PubChem CID167071087
Molecular FormulaC24H31ClN2O3S
Molecular Weight463.04 g/mol
Exact Mass462.17
IUPAC Name[5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate
SMILESCc1nc(-c2sc(Cl)cc2COC(=O)N(C)CCC2CC2)ccc1OC1CCCCC1
InChIInChI=1S/C24H31ClN2O3S/c1-16-21(30-19-6-4-3-5-7-19)11-10-20(26-16)23-18(14-22(25)31-23)15-29-24(28)27(2)13-12-17-8-9-17/h10-11,14,17,19H,3-9,12-13,15H2,1-2H3
InChIKeyHPKXRFDDKHKAOY-UHFFFAOYSA-N
XLogP6.85
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.04
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,3S)-3-[[6-[3-[[benzyl(methyl)carbamoyl]oxymethyl]-5-chlorothiophen-2-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 163298030
[5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate
CID 167071184
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate
CID 167131334
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(3-fluorobutyl)-N-methylcarbamate
CID 154935891
trans-propan-2-yl (1S,3S)-3-[[6-[4-chloro-2-[[methyl(propyl)carbamoyl]oxymethyl]phenyl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 164522310
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(3-fluoro-3-methylbutyl)-N-methylcarbamate
CID 154936017
[3-[[6-[2-[[cyclobutylmethyl(methyl)carbamoyl]oxymethyl]-4,5-difluorophenyl]-2-methyl-3-pyridinyl]oxy]cyclohexyl]phosphonic acid
CID 164522295
benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate
CID 167072060
[5-chloro-2-(5-cyclohexyloxy-6-methylpyrazin-2-yl)thiophen-3-yl]methyl (4-nitrophenyl) carbonate
CID 167071093
trans-(1S,3S)-3-[[6-(5-chloro-3-formylthiophen-2-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 175372496
benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
CID 170193723
trans-(1S,3S)-3-[[6-[5-chloro-3-[[(4-propan-2-yl-2-pyridinyl)amino]methyl]thiophen-2-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 175236028

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate?
The IUPAC name of [5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate (CID 167071087) is [5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate.
What is the SMILES notation for [5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate?
The canonical SMILES for [5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate is Cc1nc(-c2sc(Cl)cc2COC(=O)N(C)CCC2CC2)ccc1OC1CCCCC1.
What is the InChIKey of [5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate?
The InChIKey is HPKXRFDDKHKAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O3S/c1-16-21(30-19-6-4-3-5-7-19)11-10-20(26-16)23-18(14-22(25)31-23)15-29-24(28)27(2)13-12-17-8-9-17/h10-11,14,17,19H,3-9,12-13,15H2,1-2H3.
What are the key properties of [5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate?
[5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate has a molecular weight of 463.04 g/mol, XLogP of 6.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate is sourced from PubChem (CID 167071087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).