(3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C25H31N5O4S — CID 40796147

IUPAC(3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCCn3c(C)nc4ccccc43)CC2=O)cc1
InChIInChI=1S/C25H31N5O4S/c1-4-28(5-2)35(33,34)21-12-10-20(11-13-21)30-17-19(16-24(30)31)25(32)26-14-15-29-18(3)27-22-8-6-7-9-23(22)29/h6-13,19H,4-5,14-17H2,1-3H3,(H,26,32)/t19-/m1/s1
InChIKeyPTPLKQGZTOASFX-LJQANCHMSA-N
MW497.62 g/mol
LogP2.54
Rot. Bonds9

About (3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 40796147) has the molecular formula C25H31N5O4S and a molecular weight of 497.62 g/mol. Its IUPAC name is (3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID40796147
Molecular FormulaC25H31N5O4S
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC Name(3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCCn3c(C)nc4ccccc43)CC2=O)cc1
InChIInChI=1S/C25H31N5O4S/c1-4-28(5-2)35(33,34)21-12-10-20(11-13-21)30-17-19(16-24(30)31)25(32)26-14-15-29-18(3)27-22-8-6-7-9-23(22)29/h6-13,19H,4-5,14-17H2,1-3H3,(H,26,32)/t19-/m1/s1
InChIKeyPTPLKQGZTOASFX-LJQANCHMSA-N
XLogP2.54
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18086788
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25350413
1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 55818832
N-(2-aminoethyl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 119383439
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 17392000
1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 46515706
(3S)-1-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 31849234
(3R)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972179
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972180
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2578218
(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8623353
(3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9402507

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 40796147) is (3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCCn3c(C)nc4ccccc43)CC2=O)cc1.
What is the InChIKey of (3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PTPLKQGZTOASFX-LJQANCHMSA-N. The full InChI is InChI=1S/C25H31N5O4S/c1-4-28(5-2)35(33,34)21-12-10-20(11-13-21)30-17-19(16-24(30)31)25(32)26-14-15-29-18(3)27-22-8-6-7-9-23(22)29/h6-13,19H,4-5,14-17H2,1-3H3,(H,26,32)/t19-/m1/s1.
What are the key properties of (3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40796147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).