2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide

C18H21N3O2S — CID 90633334

IUPAC2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
SMILESCSc1ccccc1C(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H21N3O2S/c1-24-16-6-3-2-5-15(16)17(22)21-13-7-9-14(10-8-13)23-18-19-11-4-12-20-18/h2-6,11-14H,7-10H2,1H3,(H,21,22)
InChIKeyALQAEVBCWJQFSV-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.32
Rot. Bonds5

About 2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide

2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide (PubChem CID 90633334) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
PubChem CID90633334
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
SMILESCSc1ccccc1C(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H21N3O2S/c1-24-16-6-3-2-5-15(16)17(22)21-13-7-9-14(10-8-13)23-18-19-11-4-12-20-18/h2-6,11-14H,7-10H2,1H3,(H,21,22)
InChIKeyALQAEVBCWJQFSV-UHFFFAOYSA-N
XLogP3.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633335
N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
CID 90633279
(2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558762
N-(4-pyrimidin-2-yloxycyclohexyl)quinoxaline-2-carboxamide
CID 90633350
2-(difluoromethylsulfanyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634865
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634210
5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633270
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
2-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597201

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide (CID 90633334) is 2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide is CSc1ccccc1C(=O)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
The InChIKey is ALQAEVBCWJQFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-24-16-6-3-2-5-15(16)17(22)21-13-7-9-14(10-8-13)23-18-19-11-4-12-20-18/h2-6,11-14H,7-10H2,1H3,(H,21,22).
What are the key properties of 2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide has a molecular weight of 343.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide is sourced from PubChem (CID 90633334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).