N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide

C22H26N2O2S2 — CID 46423104

IUPACN-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)Nc2ccc(SC3CCCC3)cc2)c1
InChIInChI=1S/C22H26N2O2S2/c1-16-5-4-6-18(13-16)24-22(26)15-27-14-21(25)23-17-9-11-20(12-10-17)28-19-7-2-3-8-19/h4-6,9-13,19H,2-3,7-8,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyYEKIDALDLONSME-UHFFFAOYSA-N
MW414.60 g/mol
LogP5.34
Rot. Bonds8

About N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide

N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 46423104) has the molecular formula C22H26N2O2S2 and a molecular weight of 414.60 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID46423104
Molecular FormulaC22H26N2O2S2
Molecular Weight414.60 g/mol
Exact Mass414.14
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)Nc2ccc(SC3CCCC3)cc2)c1
InChIInChI=1S/C22H26N2O2S2/c1-16-5-4-6-18(13-16)24-22(26)15-27-14-21(25)23-17-9-11-20(12-10-17)28-19-7-2-3-8-19/h4-6,9-13,19H,2-3,7-8,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyYEKIDALDLONSME-UHFFFAOYSA-N
XLogP5.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.60
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 43700029
N-(4-cyclopentylsulfanylphenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 46598314
N-(3-methylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712480
2-[2-(2-hydroxyanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 51284419
3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19630153
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 42906074
2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide
CID 11944464
2-[2-[(2S)-2-benzylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 51873297
N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide
CID 79200166
2-(2-cyclopentylethylamino)-N-(3-methylphenyl)acetamide
CID 54932599

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide (CID 46423104) is N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide is Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(SC3CCCC3)cc2)c1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is YEKIDALDLONSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S2/c1-16-5-4-6-18(13-16)24-22(26)15-27-14-21(25)23-17-9-11-20(12-10-17)28-19-7-2-3-8-19/h4-6,9-13,19H,2-3,7-8,14-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 414.60 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 46423104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).