5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide

C23H30N4O4S — CID 55887664

IUPAC5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1
InChIInChI=1S/C23H30N4O4S/c1-16(2)24-22(28)17-7-9-18(10-8-17)25-23(29)20-15-19(32(30,31)26(3)4)11-12-21(20)27-13-5-6-14-27/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyBKARGENYWIAFAD-UHFFFAOYSA-N
MW458.58 g/mol
LogP2.93
Rot. Bonds7

About 5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide

5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide (PubChem CID 55887664) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
PubChem CID55887664
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC Name5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1
InChIInChI=1S/C23H30N4O4S/c1-16(2)24-22(28)17-7-9-18(10-8-17)25-23(29)20-15-19(32(30,31)26(3)4)11-12-21(20)27-13-5-6-14-27/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyBKARGENYWIAFAD-UHFFFAOYSA-N
XLogP2.93
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289008
5-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55962545
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide
CID 22108957
5-(dimethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-1-ylbenzamide
CID 55812100
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 25343767
N-[4-[benzyl(methyl)amino]phenyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 60536402
5-(dimethylsulfamoyl)-N-(6-methylheptan-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 55344476
5-(dimethylsulfamoyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylbenzamide
CID 55812160
5-(dimethylsulfamoyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55882250

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide (CID 55887664) is 5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide is CC(C)NC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is BKARGENYWIAFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-16(2)24-22(28)17-7-9-18(10-8-17)25-23(29)20-15-19(32(30,31)26(3)4)11-12-21(20)27-13-5-6-14-27/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 458.58 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 55887664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).