4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide

C19H25ClN2O2S — CID 12013366

IUPAC4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)CSCC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2O2S/c1-19(18(24)21-16-5-3-2-4-6-16)13-25-12-17(23)22(19)11-14-7-9-15(20)10-8-14/h7-10,16H,2-6,11-13H2,1H3,(H,21,24)
InChIKeyXMVVRTNJTNMVOV-UHFFFAOYSA-N
MW380.94 g/mol
LogP3.62
Rot. Bonds4

About 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide

4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide (PubChem CID 12013366) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide
PubChem CID12013366
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC Name4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)CSCC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2O2S/c1-19(18(24)21-16-5-3-2-4-6-16)13-25-12-17(23)22(19)11-14-7-9-15(20)10-8-14/h7-10,16H,2-6,11-13H2,1H3,(H,21,24)
InChIKeyXMVVRTNJTNMVOV-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxo-1,4-thiazepane-3-carboxamide
CID 11058347
4-benzyl-N-cyclohexyl-3-methyl-5-oxo-1,4-thiazepane-3-carboxamide
CID 11111185
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 4108715
5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522348
10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756134
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739445
(6R)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738785
(11R)-10-[(4-chlorophenyl)methyl]-N-cyclopentyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92903378
N-cyclooctyl-1-[(4-ethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 20968052
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704200
10-[(4-chlorophenyl)methyl]-N-cyclooctyl-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521874
(3R)-2-[(4-chlorophenyl)methyl]-N-cycloheptyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704263

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide (CID 12013366) is 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide is CC1(C(=O)NC2CCCCC2)CSCC(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide?
The InChIKey is XMVVRTNJTNMVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2S/c1-19(18(24)21-16-5-3-2-4-6-16)13-25-12-17(23)22(19)11-14-7-9-15(20)10-8-14/h7-10,16H,2-6,11-13H2,1H3,(H,21,24).
What are the key properties of 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide?
4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide has a molecular weight of 380.94 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 12013366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).