(2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide

C18H21NO3S2 — CID 154720771

IUPAC(2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide
SMILESCS[C@@H](CCS(=O)(=O)c1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C18H21NO3S2/c1-19(15-9-5-3-6-10-15)18(20)17(23-2)13-14-24(21,22)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/t17-/m0/s1
InChIKeySWOLHHWRCGQTFO-KRWDZBQOSA-N
MW363.50 g/mol
LogP3.24
Rot. Bonds7

About (2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide

(2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide (PubChem CID 154720771) has the molecular formula C18H21NO3S2 and a molecular weight of 363.50 g/mol. Its IUPAC name is (2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide.

Molecular Properties

Compound Name(2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide
PubChem CID154720771
Molecular FormulaC18H21NO3S2
Molecular Weight363.50 g/mol
Exact Mass363.10
IUPAC Name(2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide
SMILESCS[C@@H](CCS(=O)(=O)c1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C18H21NO3S2/c1-19(15-9-5-3-6-10-15)18(20)17(23-2)13-14-24(21,22)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/t17-/m0/s1
InChIKeySWOLHHWRCGQTFO-KRWDZBQOSA-N
XLogP3.24
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide
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CID 1488248
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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide?
The IUPAC name of (2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide (CID 154720771) is (2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide.
What is the SMILES notation for (2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide?
The canonical SMILES for (2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide is CS[C@@H](CCS(=O)(=O)c1ccccc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of (2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide?
The InChIKey is SWOLHHWRCGQTFO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO3S2/c1-19(15-9-5-3-6-10-15)18(20)17(23-2)13-14-24(21,22)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide?
(2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide has a molecular weight of 363.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(benzenesulfonyl)-N-methyl-2-methylsulfanyl-N-phenylbutanamide is sourced from PubChem (CID 154720771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).