benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate

C26H30N2O3S — CID 167072060

IUPACbenzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate
SMILESCc1cc(CNC(=O)OCc2ccccc2)c(-c2ccc(OC3CCCCC3)c(C)n2)s1
InChIInChI=1S/C26H30N2O3S/c1-18-15-21(16-27-26(29)30-17-20-9-5-3-6-10-20)25(32-18)23-13-14-24(19(2)28-23)31-22-11-7-4-8-12-22/h3,5-6,9-10,13-15,22H,4,7-8,11-12,16-17H2,1-2H3,(H,27,29)
InChIKeyKWTDINCYUMGWDS-UHFFFAOYSA-N
MW450.60 g/mol
LogP6.56
Rot. Bonds7

About benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate

benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate (PubChem CID 167072060) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate
PubChem CID167072060
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Namebenzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate
SMILESCc1cc(CNC(=O)OCc2ccccc2)c(-c2ccc(OC3CCCCC3)c(C)n2)s1
InChIInChI=1S/C26H30N2O3S/c1-18-15-21(16-27-26(29)30-17-20-9-5-3-6-10-20)25(32-18)23-13-14-24(19(2)28-23)31-22-11-7-4-8-12-22/h3,5-6,9-10,13-15,22H,4,7-8,11-12,16-17H2,1-2H3,(H,27,29)
InChIKeyKWTDINCYUMGWDS-UHFFFAOYSA-N
XLogP6.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-methyl (1S,3S)-3-[[2-methyl-6-[5-methyl-3-(phenylmethoxycarbonylaminomethyl)thiophen-2-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 163298098
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-methyl (1S,3S)-3-[[6-[5-fluoro-3-(methylaminomethyl)thiophen-2-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 163298112
[5-chloro-2-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]thiophen-3-yl]methyl N-(2-cyclopropylethyl)carbamate
CID 167071184
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
benzyl N-[[5-methyl-2-(2-methylpropanoylamino)thiophen-3-yl]methyl]carbamate
CID 130357633
[5-chloro-2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)thiophen-3-yl]methyl N-(2-cyclopropylethyl)-N-methylcarbamate
CID 167071087
(3S)-3-[[6-[5-[(cyclopentyloxycarbonylamino)methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[5-[2-(2-cyclopropylethoxy)-2-oxoethyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[2-ethyl-6-[1-methyl-5-(phenylmethoxycarbonylaminomethyl)triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 158516900
trans-propan-2-yl (1R,3S)-1-fluoro-3-[[2-methyl-6-[1-methyl-5-(phenylmethoxycarbonylaminomethyl)triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 138719951
benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
CID 170193723
2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate
CID 170193695
3-[[4-methyl-6-[3-methyl-4-(phenylmethoxycarbonylaminomethyl)-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155144214

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate (CID 167072060) is benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate is Cc1cc(CNC(=O)OCc2ccccc2)c(-c2ccc(OC3CCCCC3)c(C)n2)s1.
What is the InChIKey of benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate?
The InChIKey is KWTDINCYUMGWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-18-15-21(16-27-26(29)30-17-20-9-5-3-6-10-20)25(32-18)23-13-14-24(19(2)28-23)31-22-11-7-4-8-12-22/h3,5-6,9-10,13-15,22H,4,7-8,11-12,16-17H2,1-2H3,(H,27,29).
What are the key properties of benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate?
benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate has a molecular weight of 450.60 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate is sourced from PubChem (CID 167072060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).