4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide

C21H30N2O2S — CID 36554858

IUPAC4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCC2(N3CCSCC3)CCCC2)cc1
InChIInChI=1S/C21H30N2O2S/c1-17-4-6-18(7-5-17)19(24)8-9-20(25)22-16-21(10-2-3-11-21)23-12-14-26-15-13-23/h4-7H,2-3,8-16H2,1H3,(H,22,25)
InChIKeyKVQKHFJXHQGVMR-UHFFFAOYSA-N
MW374.55 g/mol
LogP3.44
Rot. Bonds7

About 4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide

4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide (PubChem CID 36554858) has the molecular formula C21H30N2O2S and a molecular weight of 374.55 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
PubChem CID36554858
Molecular FormulaC21H30N2O2S
Molecular Weight374.55 g/mol
Exact Mass374.20
IUPAC Name4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCC2(N3CCSCC3)CCCC2)cc1
InChIInChI=1S/C21H30N2O2S/c1-17-4-6-18(7-5-17)19(24)8-9-20(25)22-16-21(10-2-3-11-21)23-12-14-26-15-13-23/h4-7H,2-3,8-16H2,1H3,(H,22,25)
InChIKeyKVQKHFJXHQGVMR-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide
CID 120704509
3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 17475695
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide
CID 39176079
4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide
CID 51164342
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
CID 39179857
5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
CID 120643871
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
CID 36559759
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
CID 36559680
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108539714
1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 38281830
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 31328500

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide?
The IUPAC name of 4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide (CID 36554858) is 4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide?
The canonical SMILES for 4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide is Cc1ccc(C(=O)CCC(=O)NCC2(N3CCSCC3)CCCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide?
The InChIKey is KVQKHFJXHQGVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2S/c1-17-4-6-18(7-5-17)19(24)8-9-20(25)22-16-21(10-2-3-11-21)23-12-14-26-15-13-23/h4-7H,2-3,8-16H2,1H3,(H,22,25).
What are the key properties of 4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide?
4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide has a molecular weight of 374.55 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide is sourced from PubChem (CID 36554858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).