2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide

C15H20N4O3S3 — CID 55331060

IUPAC2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide
SMILESCCc1nnc(NC(=O)C(CCSC)NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C15H20N4O3S3/c1-3-13-17-18-15(24-13)16-14(20)12(9-10-23-2)19-25(21,22)11-7-5-4-6-8-11/h4-8,12,19H,3,9-10H2,1-2H3,(H,16,18,20)
InChIKeyUJGBQDRCXSUBFO-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.14
Rot. Bonds9

About 2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide

2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide (PubChem CID 55331060) has the molecular formula C15H20N4O3S3 and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide
PubChem CID55331060
Molecular FormulaC15H20N4O3S3
Molecular Weight400.55 g/mol
Exact Mass400.07
IUPAC Name2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide
SMILESCCc1nnc(NC(=O)C(CCSC)NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C15H20N4O3S3/c1-3-13-17-18-15(24-13)16-14(20)12(9-10-23-2)19-25(21,22)11-7-5-4-6-8-11/h4-8,12,19H,3,9-10H2,1-2H3,(H,16,18,20)
InChIKeyUJGBQDRCXSUBFO-UHFFFAOYSA-N
XLogP2.14
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9212809
2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide
CID 4664975
(2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide
CID 8761233
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 51144065
4-tert-butyl-N-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 24647343
2-(benzenesulfonamido)-4-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 55341118
(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide
CID 9412291
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963
(2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
CID 40713383
2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide
CID 51149693
2-(benzenesulfonamido)-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 112762191
(2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 41103941

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide (CID 55331060) is 2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide is CCc1nnc(NC(=O)C(CCSC)NS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide?
The InChIKey is UJGBQDRCXSUBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S3/c1-3-13-17-18-15(24-13)16-14(20)12(9-10-23-2)19-25(21,22)11-7-5-4-6-8-11/h4-8,12,19H,3,9-10H2,1-2H3,(H,16,18,20).
What are the key properties of 2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide?
2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide has a molecular weight of 400.55 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 55331060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).