1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide

C22H24N4O4S — CID 17476809

IUPAC1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-9-11-16(12-10-15)31(29,30)26-13-5-8-20(26)22(28)24-23-21(27)18-14-25(2)19-7-4-3-6-17(18)19/h3-4,6-7,9-12,14,20H,5,8,13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBEMOAGQAPHDJNL-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.10
Rot. Bonds4

About 1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide

1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide (PubChem CID 17476809) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide
PubChem CID17476809
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-9-11-16(12-10-15)31(29,30)26-13-5-8-20(26)22(28)24-23-21(27)18-14-25(2)19-7-4-3-6-17(18)19/h3-4,6-7,9-12,14,20H,5,8,13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBEMOAGQAPHDJNL-UHFFFAOYSA-N
XLogP2.10
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N'-[(2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carbonyl]-4-oxophthalazine-1-carbohydrazide
CID 27564604
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide
CID 134034978
(2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide
CID 51571149
N-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16924886
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
(2S)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 40696797
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882
2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 18510639
1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
CID 4669339
(2S)-1-(4-methylphenyl)sulfonyl-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
CID 55940980
(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55929659

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide (CID 17476809) is 1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of 1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide?
The InChIKey is BEMOAGQAPHDJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-15-9-11-16(12-10-15)31(29,30)26-13-5-8-20(26)22(28)24-23-21(27)18-14-25(2)19-7-4-3-6-17(18)19/h3-4,6-7,9-12,14,20H,5,8,13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide?
1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide has a molecular weight of 440.53 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide is sourced from PubChem (CID 17476809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).