cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium

C23H32N3O3S+ — CID 8916373

IUPACcyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCNS(=O)(=O)c1cc(NC(=O)C[NH+](Cc2ccc(C(C)C)cc2)C2CC2)ccc1C
InChIInChI=1S/C23H31N3O3S/c1-16(2)19-8-6-18(7-9-19)14-26(21-11-12-21)15-23(27)25-20-10-5-17(3)22(13-20)30(28,29)24-4/h5-10,13,16,21,24H,11-12,14-15H2,1-4H3,(H,25,27)/p+1
InChIKeyIDHOPRDKHHTHPU-UHFFFAOYSA-O
MW430.59 g/mol
LogP2.21
Rot. Bonds9

About cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium

cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium (PubChem CID 8916373) has the molecular formula C23H32N3O3S+ and a molecular weight of 430.59 g/mol. Its IUPAC name is cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
PubChem CID8916373
Molecular FormulaC23H32N3O3S+
Molecular Weight430.59 g/mol
Exact Mass430.22
IUPAC Namecyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCNS(=O)(=O)c1cc(NC(=O)C[NH+](Cc2ccc(C(C)C)cc2)C2CC2)ccc1C
InChIInChI=1S/C23H31N3O3S/c1-16(2)19-8-6-18(7-9-19)14-26(21-11-12-21)15-23(27)25-20-10-5-17(3)22(13-20)30(28,29)24-4/h5-10,13,16,21,24H,11-12,14-15H2,1-4H3,(H,25,27)/p+1
InChIKeyIDHOPRDKHHTHPU-UHFFFAOYSA-O
XLogP2.21
TPSA79.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8923998
cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915976
cyclopropyl-[2-(3,4-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872593
2-(3,4-dichlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107151
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 86826328
cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915560
5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
CID 82013611
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(2-methylpropyl)benzamide
CID 9107411
2-(3-fluorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107367
N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064694
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 8914627

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium (CID 8916373) is cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium is CNS(=O)(=O)c1cc(NC(=O)C[NH+](Cc2ccc(C(C)C)cc2)C2CC2)ccc1C.
What is the InChIKey of cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
The InChIKey is IDHOPRDKHHTHPU-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H31N3O3S/c1-16(2)19-8-6-18(7-9-19)14-26(21-11-12-21)15-23(27)25-20-10-5-17(3)22(13-20)30(28,29)24-4/h5-10,13,16,21,24H,11-12,14-15H2,1-4H3,(H,25,27)/p+1.
What are the key properties of cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium has a molecular weight of 430.59 g/mol, XLogP of 2.21, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 8916373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).