N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide

C21H26N2O2S — CID 18903057

IUPACN-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(SCC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C21H26N2O2S/c1-4-5-12-19(24)22-17-10-7-11-18(13-17)26-14-20(25)23-21-15(2)8-6-9-16(21)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZFTNLEHZXHXTAC-UHFFFAOYSA-N
MW370.52 g/mol
LogP5.16
Rot. Bonds8

About N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide

N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide (PubChem CID 18903057) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide.

Molecular Properties

Compound NameN-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide
PubChem CID18903057
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(SCC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C21H26N2O2S/c1-4-5-12-19(24)22-17-10-7-11-18(13-17)26-14-20(25)23-21-15(2)8-6-9-16(21)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZFTNLEHZXHXTAC-UHFFFAOYSA-N
XLogP5.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide
CID 18903036
N-(2,6-dimethylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316362
N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide
CID 19299517
N-[3-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 18902989
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide
CID 19318390
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
methyl 2-[3-(butanoylamino)phenyl]sulfanylacetate
CID 19318417
2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79128316
N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide
CID 18912435
ethyl 4-[3-(butanoylamino)phenyl]sulfanyl-3-oxobutanoate
CID 19318471
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]butanamide
CID 18901591
3-[[2-[4-(2,6-dimethylanilino)-4-oxobutyl]sulfanylacetyl]amino]-N-methylbenzamide
CID 18289045

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide?
The IUPAC name of N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide (CID 18903057) is N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide.
What is the SMILES notation for N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide?
The canonical SMILES for N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide is CCCCC(=O)Nc1cccc(SCC(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide?
The InChIKey is ZFTNLEHZXHXTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-4-5-12-19(24)22-17-10-7-11-18(13-17)26-14-20(25)23-21-15(2)8-6-9-16(21)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide?
N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide has a molecular weight of 370.52 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide is sourced from PubChem (CID 18903057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).