(2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C27H29N3O4S — CID 30128173

IUPAC(2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc(OC)ccc3C)ccc21
InChIInChI=1S/C27H29N3O4S/c1-4-29-23-9-6-5-8-21(23)22-16-19(12-14-24(22)29)28-27(31)25-10-7-15-30(25)35(32,33)26-17-20(34-3)13-11-18(26)2/h5-6,8-9,11-14,16-17,25H,4,7,10,15H2,1-3H3,(H,28,31)/t25-/m0/s1
InChIKeyQFJZONPQKMZJLL-VWLOTQADSA-N
MW491.61 g/mol
LogP4.92
Rot. Bonds6

About (2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 30128173) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is (2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID30128173
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC Name(2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc(OC)ccc3C)ccc21
InChIInChI=1S/C27H29N3O4S/c1-4-29-23-9-6-5-8-21(23)22-16-19(12-14-24(22)29)28-27(31)25-10-7-15-30(25)35(32,33)26-17-20(34-3)13-11-18(26)2/h5-6,8-9,11-14,16-17,25H,4,7,10,15H2,1-3H3,(H,28,31)/t25-/m0/s1
InChIKeyQFJZONPQKMZJLL-VWLOTQADSA-N
XLogP4.92
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 30127788
(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 35740935
dimethyl 5-[[1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 43888424
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 30127874
butyl 4-[[(2R)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 30128167
butyl 4-[[(2S)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 30128164
1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 43888284
(2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127867
(2R)-N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127642
N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43888288
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-(2-phenylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 30128117
(2S)-N-benzhydryl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30128206

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 30128173) is (2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide is CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc(OC)ccc3C)ccc21.
What is the InChIKey of (2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is QFJZONPQKMZJLL-VWLOTQADSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-4-29-23-9-6-5-8-21(23)22-16-19(12-14-24(22)29)28-27(31)25-10-7-15-30(25)35(32,33)26-17-20(34-3)13-11-18(26)2/h5-6,8-9,11-14,16-17,25H,4,7,10,15H2,1-3H3,(H,28,31)/t25-/m0/s1.
What are the key properties of (2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 491.61 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(9-ethylcarbazol-3-yl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 30128173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).