5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide

C24H31N3O5S — CID 55993372

IUPAC5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide
SMILESCCC(NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C24H31N3O5S/c1-5-21(19-8-6-7-9-22(19)32-15-23(28)27(3)4)25-24(29)20-14-18(13-10-16(20)2)33(30,31)26-17-11-12-17/h6-10,13-14,17,21,26H,5,11-12,15H2,1-4H3,(H,25,29)
InChIKeyYHFHDUXSQMOWRR-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.78
Rot. Bonds10

About 5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide

5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide (PubChem CID 55993372) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide
PubChem CID55993372
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide
SMILESCCC(NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C24H31N3O5S/c1-5-21(19-8-6-7-9-22(19)32-15-23(28)27(3)4)25-24(29)20-14-18(13-10-16(20)2)33(30,31)26-17-11-12-17/h6-10,13-14,17,21,26H,5,11-12,15H2,1-4H3,(H,25,29)
InChIKeyYHFHDUXSQMOWRR-UHFFFAOYSA-N
XLogP2.78
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55902702
5-(cyclopropylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-2-methylbenzamide
CID 18131994
5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 55489119
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
5-(cyclopropylsulfamoyl)-N-[2-(4-ethoxyphenoxy)phenyl]-2-methylbenzamide
CID 24585807
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide
CID 55901936
2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid
CID 119187975
N-[cyclopropyl(phenyl)methyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 42890157
3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide
CID 55957713
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
CID 55902194
N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide
CID 18132099

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide?
The IUPAC name of 5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide (CID 55993372) is 5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide is CCC(NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C)c1ccccc1OCC(=O)N(C)C.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide?
The InChIKey is YHFHDUXSQMOWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-5-21(19-8-6-7-9-22(19)32-15-23(28)27(3)4)25-24(29)20-14-18(13-10-16(20)2)33(30,31)26-17-11-12-17/h6-10,13-14,17,21,26H,5,11-12,15H2,1-4H3,(H,25,29).
What are the key properties of 5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide?
5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide has a molecular weight of 473.60 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide is sourced from PubChem (CID 55993372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).