N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide

C17H28N2O5S2 — CID 47732115

IUPACN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)C(C)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C17H28N2O5S2/c1-6-11-25(21,22)14(4)17(20)18-12-15-7-9-16(10-8-15)26(23,24)19(5)13(2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,18,20)
InChIKeyMZPJCGONTGHYIJ-UHFFFAOYSA-N
MW404.55 g/mol
LogP1.54
Rot. Bonds9

About N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide

N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide (PubChem CID 47732115) has the molecular formula C17H28N2O5S2 and a molecular weight of 404.55 g/mol. Its IUPAC name is N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide.

Molecular Properties

Compound NameN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide
PubChem CID47732115
Molecular FormulaC17H28N2O5S2
Molecular Weight404.55 g/mol
Exact Mass404.14
IUPAC NameN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)C(C)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C17H28N2O5S2/c1-6-11-25(21,22)14(4)17(20)18-12-15-7-9-16(10-8-15)26(23,24)19(5)13(2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,18,20)
InChIKeyMZPJCGONTGHYIJ-UHFFFAOYSA-N
XLogP1.54
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
CID 119748877
N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
CID 54921908
1-butyl-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine
CID 111150442
3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide
CID 47731816
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60584976
1-butyl-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine;hydroiodide
CID 111150441
4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid
CID 122030686
(2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide
CID 119735475
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47731570
1-(2-ethylbutyl)-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine
CID 111890915
2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide
CID 47731753
1-cyclopentyl-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine
CID 110989791

Frequently Asked Questions

What is the IUPAC name of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide?
The IUPAC name of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide (CID 47732115) is N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide.
What is the SMILES notation for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide?
The canonical SMILES for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide is CCCS(=O)(=O)C(C)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide?
The InChIKey is MZPJCGONTGHYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5S2/c1-6-11-25(21,22)14(4)17(20)18-12-15-7-9-16(10-8-15)26(23,24)19(5)13(2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,18,20).
What are the key properties of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide?
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide has a molecular weight of 404.55 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide is sourced from PubChem (CID 47732115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).