N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide

C19H20N4O3S — CID 136664551

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-6-8-16(9-7-14)27(25,26)22-11-10-19(24)23-21-13-15-12-20-18-5-3-2-4-17(15)18/h2-9,12-13,20,22H,10-11H2,1H3,(H,23,24)/b21-13+
InChIKeyRDBKXAYOPXXCDJ-FYJGNVAPSA-N
MW384.46 g/mol
LogP2.30
Rot. Bonds7

About N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide

N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 136664551) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID136664551
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-6-8-16(9-7-14)27(25,26)22-11-10-19(24)23-21-13-15-12-20-18-5-3-2-4-17(15)18/h2-9,12-13,20,22H,10-11H2,1H3,(H,23,24)/b21-13+
InChIKeyRDBKXAYOPXXCDJ-FYJGNVAPSA-N
XLogP2.30
TPSA103.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-4-oxobutanamide
CID 172933261
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-(1H-indol-3-ylmethylideneamino)hexadecanamide
CID 136905846
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136612344
N-(3,4-dimethylphenyl)-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136720944
N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3422533
4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 33338058
N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 1391069
N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide
CID 1379937
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-(1H-indol-3-ylmethylideneamino)-3-(4-methylpiperazin-1-yl)propanamide
CID 790904

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 136664551) is N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is RDBKXAYOPXXCDJ-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-6-8-16(9-7-14)27(25,26)22-11-10-19(24)23-21-13-15-12-20-18-5-3-2-4-17(15)18/h2-9,12-13,20,22H,10-11H2,1H3,(H,23,24)/b21-13+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 384.46 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 136664551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).