5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide

C20H19N3O2S — CID 162787157

IUPAC5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1sc(N)c(C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C20H19N3O2S/c1-12-8-6-7-11-15(12)23-20(25)17-13(2)16(18(21)26-17)19(24)22-14-9-4-3-5-10-14/h3-11H,21H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRXGBQWKBVKMUKI-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.45
Rot. Bonds4

About 5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide

5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide (PubChem CID 162787157) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide
PubChem CID162787157
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1sc(N)c(C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C20H19N3O2S/c1-12-8-6-7-11-15(12)23-20(25)17-13(2)16(18(21)26-17)19(24)22-14-9-4-3-5-10-14/h3-11H,21H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRXGBQWKBVKMUKI-UHFFFAOYSA-N
XLogP4.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
CID 3680511
5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide
CID 138490331
methyl 2-amino-5-[(2,4-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 694717
methyl 2-amino-5-[(2,5-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 808900
2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide
CID 722851
methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate
CID 167489018
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate
CID 4771964
4-amino-5-(4-fluorobenzoyl)-2-(2-methylanilino)-N-phenylthiophene-3-carboxamide
CID 5059448
2,6-dihydroxy-N-(2-methylphenyl)benzamide
CID 113347043
ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 28693937
2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
CID 23739793

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide (CID 162787157) is 5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide is Cc1ccccc1NC(=O)c1sc(N)c(C(=O)Nc2ccccc2)c1C.
What is the InChIKey of 5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide?
The InChIKey is RXGBQWKBVKMUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-12-8-6-7-11-15(12)23-20(25)17-13(2)16(18(21)26-17)19(24)22-14-9-4-3-5-10-14/h3-11H,21H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide?
5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 162787157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).