N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide

C20H17N3O2S — CID 4069311

IUPACN-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
SMILESCC(=NNC(=O)c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H17N3O2S/c1-14(22-23-19(24)16-6-3-2-4-7-16)15-9-11-17(12-10-15)21-20(25)18-8-5-13-26-18/h2-13H,1H3,(H,21,25)(H,23,24)
InChIKeyOQBDQBYNGRRUOZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.15
Rot. Bonds5

About N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide

N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide (PubChem CID 4069311) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
PubChem CID4069311
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
SMILESCC(=NNC(=O)c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H17N3O2S/c1-14(22-23-19(24)16-6-3-2-4-7-16)15-9-11-17(12-10-15)21-20(25)18-8-5-13-26-18/h2-13H,1H3,(H,21,25)(H,23,24)
InChIKeyOQBDQBYNGRRUOZ-UHFFFAOYSA-N
XLogP4.15
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
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-[(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-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4165688
N-[3-[N-[(4-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4300167
N-[4-[N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 5099209
N-[3-[N-[(4-tert-butylbenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 1000066
5-methyl-N-[1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 5075954
N-[4-[C-methyl-N-[(2-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4109488
N-[4-[C-methyl-N-(3-methylbutanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4653766
N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
CID 19685568
3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide
CID 3329054

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide (CID 4069311) is N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide is CC(=NNC(=O)c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is OQBDQBYNGRRUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-14(22-23-19(24)16-6-3-2-4-7-16)15-9-11-17(12-10-15)21-20(25)18-8-5-13-26-18/h2-13H,1H3,(H,21,25)(H,23,24).
What are the key properties of N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide?
N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 4069311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).