(2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide

C20H26N2O3S2 — CID 8761233

IUPAC(2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide
SMILESCCc1cccc(C)c1NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O3S2/c1-4-16-10-8-9-15(2)19(16)21-20(23)18(13-14-26-3)22-27(24,25)17-11-6-5-7-12-17/h5-12,18,22H,4,13-14H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyBZXVBEPTHYPRRE-GOSISDBHSA-N
MW406.57 g/mol
LogP3.60
Rot. Bonds9

About (2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide

(2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide (PubChem CID 8761233) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is (2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide
PubChem CID8761233
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC Name(2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide
SMILESCCc1cccc(C)c1NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O3S2/c1-4-16-10-8-9-15(2)19(16)21-20(23)18(13-14-26-3)22-27(24,25)17-11-6-5-7-12-17/h5-12,18,22H,4,13-14H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyBZXVBEPTHYPRRE-GOSISDBHSA-N
XLogP3.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9212809
[2-(2,6-dimethylanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 2409511
(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide
CID 9412291
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
CID 41374333
2-[(2-ethyl-6-methylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61182358
2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide
CID 55331060
N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890719
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963
2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide
CID 51149693
2-(benzenesulfonamido)-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 112762191
(2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
CID 40713383
2-(benzenesulfonamido)-4-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 55341118

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide (CID 8761233) is (2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide is CCc1cccc(C)c1NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide?
The InChIKey is BZXVBEPTHYPRRE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-4-16-10-8-9-15(2)19(16)21-20(23)18(13-14-26-3)22-27(24,25)17-11-6-5-7-12-17/h5-12,18,22H,4,13-14H2,1-3H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide?
(2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide has a molecular weight of 406.57 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 8761233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).