N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide

C22H23N3O2S2 — CID 22778346

IUPACN-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(SC(C(=O)Nc2nccs2)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O2S2/c1-2-3-9-19(26)24-17-10-12-18(13-11-17)29-20(16-7-5-4-6-8-16)21(27)25-22-23-14-15-28-22/h4-8,10-15,20H,2-3,9H2,1H3,(H,24,26)(H,23,25,27)
InChIKeyBHNSPXPYCLHYGS-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.74
Rot. Bonds9

About N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide

N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide (PubChem CID 22778346) has the molecular formula C22H23N3O2S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide
PubChem CID22778346
Molecular FormulaC22H23N3O2S2
Molecular Weight425.58 g/mol
Exact Mass425.12
IUPAC NameN-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(SC(C(=O)Nc2nccs2)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O2S2/c1-2-3-9-19(26)24-17-10-12-18(13-11-17)29-20(16-7-5-4-6-8-16)21(27)25-22-23-14-15-28-22/h4-8,10-15,20H,2-3,9H2,1H3,(H,24,26)(H,23,25,27)
InChIKeyBHNSPXPYCLHYGS-UHFFFAOYSA-N
XLogP5.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]butanamide
CID 18912469
N-[4-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 22782891
N-[4-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 23098739
(E)-N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 23096846
N-[4-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 23095714
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 22777992
N-[4-[2-(2,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 22782001
4-[4-[2-(4-butoxyanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786434
8-[[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22785173
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 23098239
N-[3-[2-(4-acetamidoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 18903222
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 132899242

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide?
The IUPAC name of N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide (CID 22778346) is N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide.
What is the SMILES notation for N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide?
The canonical SMILES for N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide is CCCCC(=O)Nc1ccc(SC(C(=O)Nc2nccs2)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide?
The InChIKey is BHNSPXPYCLHYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S2/c1-2-3-9-19(26)24-17-10-12-18(13-11-17)29-20(16-7-5-4-6-8-16)21(27)25-22-23-14-15-28-22/h4-8,10-15,20H,2-3,9H2,1H3,(H,24,26)(H,23,25,27).
What are the key properties of N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide?
N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide has a molecular weight of 425.58 g/mol, XLogP of 5.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide is sourced from PubChem (CID 22778346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).