(2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide

C22H25N3O4S — CID 92730108

IUPAC(2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C22H25N3O4S/c1-3-14-23-21(26)19-8-6-15-25(19)22(27)17-10-12-18(13-11-17)24-30(28,29)20-9-5-4-7-16(20)2/h3-5,7,9-13,19,24H,1,6,8,14-15H2,2H3,(H,23,26)/t19-/m1/s1
InChIKeyAJNHXBGCENSBOZ-LJQANCHMSA-N
MW427.53 g/mol
LogP2.70
Rot. Bonds7

About (2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide

(2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide (PubChem CID 92730108) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is (2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide
PubChem CID92730108
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name(2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C22H25N3O4S/c1-3-14-23-21(26)19-8-6-15-25(19)22(27)17-10-12-18(13-11-17)24-30(28,29)20-9-5-4-7-16(20)2/h3-5,7,9-13,19,24H,1,6,8,14-15H2,2H3,(H,23,26)/t19-/m1/s1
InChIKeyAJNHXBGCENSBOZ-LJQANCHMSA-N
XLogP2.70
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide
CID 50831005
N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830965
(2S)-N-butyl-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92728373
1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide
CID 50831114
N-cyclopropyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830884
(2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 92729981
(2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92730158
N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide
CID 50831051
N-butyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46388282
(2S)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92730058
N-butyl-1-[4-[(4-chlorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50831007
1-[4-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 50826798

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide (CID 92730108) is (2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide is C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2C)cc1.
What is the InChIKey of (2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide?
The InChIKey is AJNHXBGCENSBOZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-3-14-23-21(26)19-8-6-15-25(19)22(27)17-10-12-18(13-11-17)24-30(28,29)20-9-5-4-7-16(20)2/h3-5,7,9-13,19,24H,1,6,8,14-15H2,2H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide?
(2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide is sourced from PubChem (CID 92730108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).