N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide

C19H20N4O4S — CID 55556337

IUPACN-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide
SMILESCc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1NS(C)(=O)=O
InChIInChI=1S/C19H20N4O4S/c1-12-8-9-13(10-16(12)22-28(3,26)27)18(24)20-21-19(25)15-11-23(2)17-7-5-4-6-14(15)17/h4-11,22H,1-3H3,(H,20,24)(H,21,25)
InChIKeyHPNYLBRSLUCMTG-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.93
Rot. Bonds4

About N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide

N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide (PubChem CID 55556337) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide
PubChem CID55556337
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide
SMILESCc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1NS(C)(=O)=O
InChIInChI=1S/C19H20N4O4S/c1-12-8-9-13(10-16(12)22-28(3,26)27)18(24)20-21-19(25)15-11-23(2)17-7-5-4-6-14(15)17/h4-11,22H,1-3H3,(H,20,24)(H,21,25)
InChIKeyHPNYLBRSLUCMTG-UHFFFAOYSA-N
XLogP1.93
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
CID 31737928
N-tert-butyl-2-chloro-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 31737799
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876
N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide
CID 7594196
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide
CID 40717339
2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 55408588
1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide
CID 40717451
3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 40717303
N-[5-[[[4-(diethylamino)benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 39982550
N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide
CID 26815716
1-(3,5-dimethylphenyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
CID 8001040

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide (CID 55556337) is N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide is Cc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide?
The InChIKey is HPNYLBRSLUCMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-12-8-9-13(10-16(12)22-28(3,26)27)18(24)20-21-19(25)15-11-23(2)17-7-5-4-6-14(15)17/h4-11,22H,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide?
N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide has a molecular weight of 400.46 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 55556337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).