(2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide

C20H26N2O3S2 — CID 1007969

IUPAC(2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-4-22(5-2)27(24,25)19-13-11-18(12-14-19)21-20(23)16(3)26-15-17-9-7-6-8-10-17/h6-14,16H,4-5,15H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyIFJNNEINISGBBX-INIZCTEOSA-N
MW406.57 g/mol
LogP3.98
Rot. Bonds9

About (2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide

(2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 1007969) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is (2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID1007969
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC Name(2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-4-22(5-2)27(24,25)19-13-11-18(12-14-19)21-20(23)16(3)26-15-17-9-7-6-8-10-17/h6-14,16H,4-5,15H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyIFJNNEINISGBBX-INIZCTEOSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-benzylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2647848
2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 107903298
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
(2R)-2-benzylsulfanyl-N-(3,4-dimethylphenyl)propanamide
CID 2271946
2-benzylsulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 133244520
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
CID 8883782
(2S)-2-benzylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100500248
(2S)-2-benzylsulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 40753519
(2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide
CID 7389232
(2S)-2-benzylsulfanyl-N-(4-bromo-3-methylphenyl)propanamide
CID 1257680
2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17297277
(2S)-2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)propanamide
CID 95288755

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide (CID 1007969) is (2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is IFJNNEINISGBBX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-4-22(5-2)27(24,25)19-13-11-18(12-14-19)21-20(23)16(3)26-15-17-9-7-6-8-10-17/h6-14,16H,4-5,15H2,1-3H3,(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide?
(2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 406.57 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1007969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).