N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

C19H25N3O3S2 — CID 55929746

IUPACN-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CSCc2ccccn2)cc1
InChIInChI=1S/C19H25N3O3S2/c1-15(2)22-27(24,25)14-17-8-6-16(7-9-17)11-21-19(23)13-26-12-18-5-3-4-10-20-18/h3-10,15,22H,11-14H2,1-2H3,(H,21,23)
InChIKeyRTEGVBLTTAKJCQ-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.46
Rot. Bonds10

About N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (PubChem CID 55929746) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
PubChem CID55929746
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CSCc2ccccn2)cc1
InChIInChI=1S/C19H25N3O3S2/c1-15(2)22-27(24,25)14-17-8-6-16(7-9-17)11-21-19(23)13-26-12-18-5-3-4-10-20-18/h3-10,15,22H,11-14H2,1-2H3,(H,21,23)
InChIKeyRTEGVBLTTAKJCQ-UHFFFAOYSA-N
XLogP2.46
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110968014
2-methyl-1-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111194012
N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901648
2-phenylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30377466
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55966889
2-[(4-methylphenyl)methylsulfanyl]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 33452266
N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120827351
N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 111484028
N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide
CID 18156175
N-(2-hydroxyethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901516
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 36607696

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (CID 55929746) is N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CSCc2ccccn2)cc1.
What is the InChIKey of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The InChIKey is RTEGVBLTTAKJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-15(2)22-27(24,25)14-17-8-6-16(7-9-17)11-21-19(23)13-26-12-18-5-3-4-10-20-18/h3-10,15,22H,11-14H2,1-2H3,(H,21,23).
What are the key properties of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide has a molecular weight of 407.56 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 55929746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).