N-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide

C22H26N2O2S — CID 75416450

IUPACN-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CN(C)C(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O2S/c1-16-7-9-17(10-8-16)15-24(2)22(26)21(25)23-18-11-13-20(14-12-18)27-19-5-3-4-6-19/h7-14,19H,3-6,15H2,1-2H3,(H,23,25)
InChIKeyILTGFRLAYGQQCA-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.63
Rot. Bonds5

About N-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide

N-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide (PubChem CID 75416450) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide
PubChem CID75416450
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CN(C)C(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O2S/c1-16-7-9-17(10-8-16)15-24(2)22(26)21(25)23-18-11-13-20(14-12-18)27-19-5-3-4-6-19/h7-14,19H,3-6,15H2,1-2H3,(H,23,25)
InChIKeyILTGFRLAYGQQCA-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 37400572
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 43700029
N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 37400585
1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea
CID 112840313
3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide
CID 43710113
N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 46423104
N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide
CID 79200166
(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
CID 119293414
N-(4-cyclopentylsulfanylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 94070420
N-(4-cyclopentylsulfanylphenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 94070419
N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide
CID 42955855

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide (CID 75416450) is N-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide is Cc1ccc(CN(C)C(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide?
The InChIKey is ILTGFRLAYGQQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-16-7-9-17(10-8-16)15-24(2)22(26)21(25)23-18-11-13-20(14-12-18)27-19-5-3-4-6-19/h7-14,19H,3-6,15H2,1-2H3,(H,23,25).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide?
N-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide has a molecular weight of 382.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 75416450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).