5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide

C20H19N3O2S2 — CID 3448356

IUPAC5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
SMILESCC(=NNC(=O)c1ccc(C)s1)c1ccc(NC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-12-4-10-17(26-12)19(24)21-16-8-6-15(7-9-16)14(3)22-23-20(25)18-11-5-13(2)27-18/h4-11H,1-3H3,(H,21,24)(H,23,25)
InChIKeyBDOAGVBPPAXOGD-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.83
Rot. Bonds5

About 5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide

5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide (PubChem CID 3448356) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
PubChem CID3448356
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
SMILESCC(=NNC(=O)c1ccc(C)s1)c1ccc(NC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-12-4-10-17(26-12)19(24)21-16-8-6-15(7-9-16)14(3)22-23-20(25)18-11-5-13(2)27-18/h4-11H,1-3H3,(H,21,24)(H,23,25)
InChIKeyBDOAGVBPPAXOGD-UHFFFAOYSA-N
XLogP4.83
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide
CID 841194
4-bromo-1,5-dimethyl-N-[1-[4-[(5-methylthiophene-2-carbonyl)amino]phenyl]ethylideneamino]pyrazole-3-carboxamide
CID 4218595
N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 6152424
N-[3-[(Z)-N-[(3,5-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-5-methylthiophene-2-carboxamide
CID 5454915
N-[3-[N-[(3,5-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-5-methylthiophene-2-carboxamide
CID 1225544
4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 4232826
5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 52555639
N-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide
CID 6002491
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 36865757

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide (CID 3448356) is 5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide is CC(=NNC(=O)c1ccc(C)s1)c1ccc(NC(=O)c2ccc(C)s2)cc1.
What is the InChIKey of 5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is BDOAGVBPPAXOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-12-4-10-17(26-12)19(24)21-16-8-6-15(7-9-16)14(3)22-23-20(25)18-11-5-13(2)27-18/h4-11H,1-3H3,(H,21,24)(H,23,25).
What are the key properties of 5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide?
5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 397.53 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3448356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).