(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide

C22H27N3O3S — CID 35740935

IUPAC(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C22H27N3O3S/c1-3-14-29(27,28)25-13-7-10-21(25)22(26)23-16-11-12-20-18(15-16)17-8-5-6-9-19(17)24(20)4-2/h5-6,8-9,11-12,15,21H,3-4,7,10,13-14H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyTUATWFDUDQFBGB-OAQYLSRUSA-N
MW413.54 g/mol
LogP3.96
Rot. Bonds6

About (2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide

(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 35740935) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is (2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID35740935
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C22H27N3O3S/c1-3-14-29(27,28)25-13-7-10-21(25)22(26)23-16-11-12-20-18(15-16)17-8-5-6-9-19(17)24(20)4-2/h5-6,8-9,11-12,15,21H,3-4,7,10,13-14H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyTUATWFDUDQFBGB-OAQYLSRUSA-N
XLogP3.96
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30128173
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 42929323
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
1-acetyl-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 17127014
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 56507308
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide
CID 55515725
(2S)-N-(9-ethylcarbazol-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119262851
N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112843902
N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55453705
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 71898551

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 35740935) is (2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of (2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is TUATWFDUDQFBGB-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-3-14-29(27,28)25-13-7-10-21(25)22(26)23-16-11-12-20-18(15-16)17-8-5-6-9-19(17)24(20)4-2/h5-6,8-9,11-12,15,21H,3-4,7,10,13-14H2,1-2H3,(H,23,26)/t21-/m1/s1.
What are the key properties of (2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 35740935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).