3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide

C20H30N2O2S — CID 155196227

IUPAC3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide
SMILESCCCC1C(C(=O)Nc2ccc(SC)cc2)C(C(N)=O)C(C)C1(C)C
InChIInChI=1S/C20H30N2O2S/c1-6-7-15-17(16(18(21)23)12(2)20(15,3)4)19(24)22-13-8-10-14(25-5)11-9-13/h8-12,15-17H,6-7H2,1-5H3,(H2,21,23)(H,22,24)
InChIKeyJKSWWWWEQIRGJT-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.16
Rot. Bonds6

About 3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide

3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide (PubChem CID 155196227) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Name3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide
PubChem CID155196227
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide
SMILESCCCC1C(C(=O)Nc2ccc(SC)cc2)C(C(N)=O)C(C)C1(C)C
InChIInChI=1S/C20H30N2O2S/c1-6-7-15-17(16(18(21)23)12(2)20(15,3)4)19(24)22-13-8-10-14(25-5)11-9-13/h8-12,15-17H,6-7H2,1-5H3,(H2,21,23)(H,22,24)
InChIKeyJKSWWWWEQIRGJT-UHFFFAOYSA-N
XLogP4.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(4-methylsulfanylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835176
(1R,2S,3R,4S)-3-N-(4-methylsulfanylphenyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67995859
6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide
CID 130293886
2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide
CID 79809132
N-(4-methylsulfanylphenyl)cyclopentanecarboxamide
CID 9153516
N'-(4-methylsulfanylphenyl)butanediamide
CID 142651980
N-(4-methylsulfanylphenyl)-4-oxocyclohexane-1-carboxamide
CID 115150357
4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 60847909
(1R,2S,3R,4S)-3-N-(4-iodophenyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 67996336
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 115183938
2-methyl-1-(4-methylsulfanylphenyl)guanidine
CID 62380340

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide?
The IUPAC name of 3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide (CID 155196227) is 3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide.
What is the SMILES notation for 3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide?
The canonical SMILES for 3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide is CCCC1C(C(=O)Nc2ccc(SC)cc2)C(C(N)=O)C(C)C1(C)C.
What is the InChIKey of 3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide?
The InChIKey is JKSWWWWEQIRGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-6-7-15-17(16(18(21)23)12(2)20(15,3)4)19(24)22-13-8-10-14(25-5)11-9-13/h8-12,15-17H,6-7H2,1-5H3,(H2,21,23)(H,22,24).
What are the key properties of 3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide?
3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide has a molecular weight of 362.54 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 155196227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).