N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

C22H36N4O4S — CID 55993412

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1
InChIInChI=1S/C22H36N4O4S/c1-5-17(4)24-21(27)12-13-23-22(28)19-16-18(31(29,30)26(6-2)7-3)10-11-20(19)25-14-8-9-15-25/h10-11,16-17H,5-9,12-15H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyWMFFAOHVHPNOTR-UHFFFAOYSA-N
MW452.62 g/mol
LogP2.35
Rot. Bonds11

About N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 55993412) has the molecular formula C22H36N4O4S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID55993412
Molecular FormulaC22H36N4O4S
Molecular Weight452.62 g/mol
Exact Mass452.25
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1
InChIInChI=1S/C22H36N4O4S/c1-5-17(4)24-21(27)12-13-23-22(28)19-16-18(31(29,30)26(6-2)7-3)10-11-20(19)25-14-8-9-15-25/h10-11,16-17H,5-9,12-15H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyWMFFAOHVHPNOTR-UHFFFAOYSA-N
XLogP2.35
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(diethylsulfamoyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 9277220
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 51159074
5-(diethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 119505891
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-nitro-2-piperidin-1-ylbenzamide
CID 55948412
N-(2-amino-2-oxoethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 9276846
5-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 78780901
2-chloro-5-(diethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364284
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
CID 119383889
5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 55332364
2-chloro-5-(diethylsulfamoyl)-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55803113
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (CID 55993412) is N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is CCC(C)NC(=O)CCNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is WMFFAOHVHPNOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O4S/c1-5-17(4)24-21(27)12-13-23-22(28)19-16-18(31(29,30)26(6-2)7-3)10-11-20(19)25-14-8-9-15-25/h10-11,16-17H,5-9,12-15H2,1-4H3,(H,23,28)(H,24,27).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 452.62 g/mol, XLogP of 2.35, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 55993412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).