(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide

C19H24N2O3S2 — CID 9212809

IUPAC(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
SMILESCCc1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-3-15-9-11-16(12-10-15)20-19(22)18(13-14-25-2)21-26(23,24)17-7-5-4-6-8-17/h4-12,18,21H,3,13-14H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyVJMBASLSMCJBKI-SFHVURJKSA-N
MW392.55 g/mol
LogP3.29
Rot. Bonds9

About (2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide

(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide (PubChem CID 9212809) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
PubChem CID9212809
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
SMILESCCc1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-3-15-9-11-16(12-10-15)20-19(22)18(13-14-25-2)21-26(23,24)17-7-5-4-6-8-17/h4-12,18,21H,3,13-14H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyVJMBASLSMCJBKI-SFHVURJKSA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 112762191
(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide
CID 9412291
(2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide
CID 8761233
2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]acetic acid
CID 19032889
(2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9213493
2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide
CID 55331060
(2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
CID 40713383
(2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 26709302
N-(4-ethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3913906
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963
ethyl 2-[4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]acetate
CID 67706855
N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 24537921

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide (CID 9212809) is (2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide is CCc1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide?
The InChIKey is VJMBASLSMCJBKI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-3-15-9-11-16(12-10-15)20-19(22)18(13-14-25-2)21-26(23,24)17-7-5-4-6-8-17/h4-12,18,21H,3,13-14H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide?
(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide has a molecular weight of 392.55 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 9212809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).