2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide

C17H25ClN2OS — CID 112815816

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide
SMILESCC(C)C(Sc1ccc(Cl)cn1)C(=O)NC1CCCCC1C
InChIInChI=1S/C17H25ClN2OS/c1-11(2)16(22-15-9-8-13(18)10-19-15)17(21)20-14-7-5-4-6-12(14)3/h8-12,14,16H,4-7H2,1-3H3,(H,20,21)
InChIKeyFRIVCSVBVVQSRW-UHFFFAOYSA-N
MW340.92 g/mol
LogP4.55
Rot. Bonds5

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide

2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide (PubChem CID 112815816) has the molecular formula C17H25ClN2OS and a molecular weight of 340.92 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide
PubChem CID112815816
Molecular FormulaC17H25ClN2OS
Molecular Weight340.92 g/mol
Exact Mass340.14
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide
SMILESCC(C)C(Sc1ccc(Cl)cn1)C(=O)NC1CCCCC1C
InChIInChI=1S/C17H25ClN2OS/c1-11(2)16(22-15-9-8-13(18)10-19-15)17(21)20-14-7-5-4-6-12(14)3/h8-12,14,16H,4-7H2,1-3H3,(H,20,21)
InChIKeyFRIVCSVBVVQSRW-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 7816533
(2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide
CID 94147637
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 112815574
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 24978733
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 98604511
2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide
CID 112785964
[(2S)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate
CID 51730287
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate
CID 98929416
(2S)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11909554
(2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889406
(2R)-2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124568214
(2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 7553892

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide (CID 112815816) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide is CC(C)C(Sc1ccc(Cl)cn1)C(=O)NC1CCCCC1C.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide?
The InChIKey is FRIVCSVBVVQSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2OS/c1-11(2)16(22-15-9-8-13(18)10-19-15)17(21)20-14-7-5-4-6-12(14)3/h8-12,14,16H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide?
2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide has a molecular weight of 340.92 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide is sourced from PubChem (CID 112815816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).