N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide

C22H18N4O2S — CID 19685568

IUPACN-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
SMILESC/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C22H18N4O2S/c1-14(25-26-21(27)18-13-23-19-6-3-2-5-17(18)19)15-8-10-16(11-9-15)24-22(28)20-7-4-12-29-20/h2-13,23H,1H3,(H,24,28)(H,26,27)/b25-14+
InChIKeyDQSXLLOESYNJIW-AFUMVMLFSA-N
MW402.48 g/mol
LogP4.64
Rot. Bonds5

About N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide

N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide (PubChem CID 19685568) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
PubChem CID19685568
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC NameN-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
SMILESC/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C22H18N4O2S/c1-14(25-26-21(27)18-13-23-19-6-3-2-5-17(18)19)15-8-10-16(11-9-15)24-22(28)20-7-4-12-29-20/h2-13,23H,1H3,(H,24,28)(H,26,27)/b25-14+
InChIKeyDQSXLLOESYNJIW-AFUMVMLFSA-N
XLogP4.64
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.64
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-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4165688
N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3109037
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
CID 4167609
N-[4-[C-methyl-N-[(2-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4109488
N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3447704
N-[4-[N-[(4-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3558400
N-[4-[C-methyl-N-[(3,4,5-trihydroxybenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3654494
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]thiophene-2-carboxamide
CID 6149852
N-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-3-carboxamide
CID 90023479
N-[4-[N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 5099209
5-methyl-N-[1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 5075954

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide (CID 19685568) is N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide is C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide?
The InChIKey is DQSXLLOESYNJIW-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-14(25-26-21(27)18-13-23-19-6-3-2-5-17(18)19)15-8-10-16(11-9-15)24-22(28)20-7-4-12-29-20/h2-13,23H,1H3,(H,24,28)(H,26,27)/b25-14+.
What are the key properties of N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide?
N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 19685568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).