(2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide

C21H21N3O3S2 — CID 93487007

IUPAC(2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
SMILESC[C@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C21H21N3O3S2/c1-16(28-15-17-6-3-2-4-7-17)21(25)23-18-9-11-20(12-10-18)29(26,27)24-19-8-5-13-22-14-19/h2-14,16,24H,15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyTULRLUAUXRKZBA-INIZCTEOSA-N
MW427.55 g/mol
LogP4.14
Rot. Bonds8

About (2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide

(2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide (PubChem CID 93487007) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is (2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
PubChem CID93487007
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC Name(2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
SMILESC[C@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C21H21N3O3S2/c1-16(28-15-17-6-3-2-4-7-17)21(25)23-18-9-11-20(12-10-18)29(26,27)24-19-8-5-13-22-14-19/h2-14,16,24H,15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyTULRLUAUXRKZBA-INIZCTEOSA-N
XLogP4.14
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-benzylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2647848
2-(4-chlorophenyl)sulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 43908489
2-benzylsulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 133244520
(2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 1007969
(2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 28632657
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 28573679
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide
CID 22776010
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 99950175
(2S)-2-benzylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100500248
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
(2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 93486859

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide (CID 93487007) is (2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide is C[C@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1.
What is the InChIKey of (2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide?
The InChIKey is TULRLUAUXRKZBA-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c1-16(28-15-17-6-3-2-4-7-17)21(25)23-18-9-11-20(12-10-18)29(26,27)24-19-8-5-13-22-14-19/h2-14,16,24H,15H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of (2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide?
(2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide has a molecular weight of 427.55 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 93487007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).