4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide

C23H25ClN4O4S — CID 41042450

IUPAC4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1
InChIInChI=1S/C23H25ClN4O4S/c24-19-8-7-18(13-22(19)33(30,31)27-15-17-5-3-9-25-14-17)23(29)26-16-20(21-6-4-12-32-21)28-10-1-2-11-28/h3-9,12-14,20,27H,1-2,10-11,15-16H2,(H,26,29)/t20-/m1/s1
InChIKeyNQEXUGKYVYKJKI-HXUWFJFHSA-N
MW489.00 g/mol
LogP3.37
Rot. Bonds9

About 4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide

4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide (PubChem CID 41042450) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide
PubChem CID41042450
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC Name4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1
InChIInChI=1S/C23H25ClN4O4S/c24-19-8-7-18(13-22(19)33(30,31)27-15-17-5-3-9-25-14-17)23(29)26-16-20(21-6-4-12-32-21)28-10-1-2-11-28/h3-9,12-14,20,27H,1-2,10-11,15-16H2,(H,26,29)/t20-/m1/s1
InChIKeyNQEXUGKYVYKJKI-HXUWFJFHSA-N
XLogP3.37
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide 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

3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 41041399
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 40844556
4-chloro-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid
CID 2411456
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 17490617
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17474547
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46809468
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 41139101
3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 40984734
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide (CID 41042450) is 4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide is O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1.
What is the InChIKey of 4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide?
The InChIKey is NQEXUGKYVYKJKI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c24-19-8-7-18(13-22(19)33(30,31)27-15-17-5-3-9-25-14-17)23(29)26-16-20(21-6-4-12-32-21)28-10-1-2-11-28/h3-9,12-14,20,27H,1-2,10-11,15-16H2,(H,26,29)/t20-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide?
4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide has a molecular weight of 489.00 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 41042450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).