[5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate

C24H31ClN2O3S — CID 167071184

IUPAC[5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate
SMILESCc1nc(-c2sc(Cl)cc2COC(=O)NCCC2CC2)ccc1O[C@H]1CCC[C@H](C)C1
InChIInChI=1S/C24H31ClN2O3S/c1-15-4-3-5-19(12-15)30-21-9-8-20(27-16(21)2)23-18(13-22(25)31-23)14-29-24(28)26-11-10-17-6-7-17/h8-9,13,15,17,19H,3-7,10-12,14H2,1-2H3,(H,26,28)/t15-,19-/m0/s1
InChIKeyXDESWJDCCVFARC-KXBFYZLASA-N
MW463.04 g/mol
LogP6.76
Rot. Bonds8

About [5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate

[5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate (PubChem CID 167071184) has the molecular formula C24H31ClN2O3S and a molecular weight of 463.04 g/mol. Its IUPAC name is [5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate.

Molecular Properties

Compound Name[5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate
PubChem CID167071184
Molecular FormulaC24H31ClN2O3S
Molecular Weight463.04 g/mol
Exact Mass462.17
IUPAC Name[5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate
SMILESCc1nc(-c2sc(Cl)cc2COC(=O)NCCC2CC2)ccc1O[C@H]1CCC[C@H](C)C1
InChIInChI=1S/C24H31ClN2O3S/c1-15-4-3-5-19(12-15)30-21-9-8-20(27-16(21)2)23-18(13-22(25)31-23)14-29-24(28)26-11-10-17-6-7-17/h8-9,13,15,17,19H,3-7,10-12,14H2,1-2H3,(H,26,28)/t15-,19-/m0/s1
InChIKeyXDESWJDCCVFARC-KXBFYZLASA-N
XLogP6.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.04
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate with MolForge

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Related Compounds

[5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate
CID 167071087
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
trans-methyl (1S,3S)-3-[[2-methyl-6-[5-methyl-3-(phenylmethoxycarbonylaminomethyl)thiophen-2-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 163298098
benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate
CID 167072060
trans-(1S,3S)-3-[[6-(5-chloro-3-formylthiophen-2-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 175372496
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
trans-methyl (1S,3S)-3-[[6-[5-fluoro-3-(methylaminomethyl)thiophen-2-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 163298112
trans-methyl (1S,3S)-3-[[6-[5-fluoro-3-[(4-nitrophenoxy)carbonyloxymethyl]thiophen-2-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 163298015
trans-methyl (1S,3S)-3-[[6-[5-fluoro-3-[[[(1R)-1-phenylethoxy]carbonylamino]methyl]thiophen-2-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 163298134
trans-(1S,3S)-3-[[6-[3-[[4-(cyclopropylmethyl)-5-oxotetrazol-1-yl]methyl]-5-fluorothiophen-2-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 163298000
[5-chloro-2-(5-cyclohexyloxy-6-methylpyrazin-2-yl)thiophen-3-yl]methyl (4-nitrophenyl) carbonate
CID 167071093
[3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol
CID 167554634

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate?
The IUPAC name of [5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate (CID 167071184) is [5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate.
What is the SMILES notation for [5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate?
The canonical SMILES for [5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate is Cc1nc(-c2sc(Cl)cc2COC(=O)NCCC2CC2)ccc1O[C@H]1CCC[C@H](C)C1.
What is the InChIKey of [5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate?
The InChIKey is XDESWJDCCVFARC-KXBFYZLASA-N. The full InChI is InChI=1S/C24H31ClN2O3S/c1-15-4-3-5-19(12-15)30-21-9-8-20(27-16(21)2)23-18(13-22(25)31-23)14-29-24(28)26-11-10-17-6-7-17/h8-9,13,15,17,19H,3-7,10-12,14H2,1-2H3,(H,26,28)/t15-,19-/m0/s1.
What are the key properties of [5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate?
[5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate has a molecular weight of 463.04 g/mol, XLogP of 6.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate is sourced from PubChem (CID 167071184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).