1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide

C24H25N5O4S — CID 159988634

IUPAC1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccc(S(=O)(=O)N3CCCC3C(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C24H25N5O4S/c1-17-7-9-18(10-8-17)26-24(31)27-19-11-13-20(14-12-19)34(32,33)29-16-4-5-21(29)23(30)28-22-6-2-3-15-25-22/h2-3,6-15,21H,4-5,16H2,1H3,(H,25,28,30)(H2,26,27,31)
InChIKeyIYUVWWDUEVANKD-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.83
Rot. Bonds6

About 1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide

1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide (PubChem CID 159988634) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide
PubChem CID159988634
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC Name1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccc(S(=O)(=O)N3CCCC3C(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C24H25N5O4S/c1-17-7-9-18(10-8-17)26-24(31)27-19-11-13-20(14-12-19)34(32,33)29-16-4-5-21(29)23(30)28-22-6-2-3-15-25-22/h2-3,6-15,21H,4-5,16H2,1H3,(H,25,28,30)(H2,26,27,31)
InChIKeyIYUVWWDUEVANKD-UHFFFAOYSA-N
XLogP3.83
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2S)-1-(4-methylphenyl)sulfonyl-N-[2-(pyridin-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 60589639
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882
1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 42890844
(2S)-1-(4-methylphenyl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 32947927
1-(4-methylphenyl)-3-[4-[2-(2-phenylacetyl)pyrrolidin-1-yl]sulfonylphenyl]urea
CID 146860428
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
(2S)-1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 25381432
(2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 46652639
(2S)-1-(4-methylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 25408726
1-(4-methylphenyl)sulfonyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 55335881
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide (CID 159988634) is 1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide is Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)N3CCCC3C(=O)Nc3ccccn3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is IYUVWWDUEVANKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-17-7-9-18(10-8-17)26-24(31)27-19-11-13-20(14-12-19)34(32,33)29-16-4-5-21(29)23(30)28-22-6-2-3-15-25-22/h2-3,6-15,21H,4-5,16H2,1H3,(H,25,28,30)(H2,26,27,31).
What are the key properties of 1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide?
1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 159988634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).