5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide

C16H17N3O2S — CID 138490363

IUPAC5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc(N)c1C(=O)NC1CC1
InChIInChI=1S/C16H17N3O2S/c1-9-12(15(20)18-11-7-8-11)14(17)22-13(9)16(21)19-10-5-3-2-4-6-10/h2-6,11H,7-8,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyRKHJJSDCMOEEFB-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.78
Rot. Bonds4

About 5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide

5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide (PubChem CID 138490363) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
PubChem CID138490363
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc(N)c1C(=O)NC1CC1
InChIInChI=1S/C16H17N3O2S/c1-9-12(15(20)18-11-7-8-11)14(17)22-13(9)16(21)19-10-5-3-2-4-6-10/h2-6,11H,7-8,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyRKHJJSDCMOEEFB-UHFFFAOYSA-N
XLogP2.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.78
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

5-amino-N-cyclopropyl-3-(4-fluorophenyl)-4-oxo-3,4-dihydrothieno(3,4-d)pyridazine-1-carboxamide
CID 70686373
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
N,N-diethyl-5-methyl-4-oxo-3-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 1075653
4-Ethyl-5-methyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-3-thiophenecarboxamide
CID 2933190
2-(2-fluoro-4-iodoanilino)-5,5-dimethyl-8-oxo-6,7-dihydro-4H-thieno[2,3-c]azepine-3-carboxamide
CID 57395008
5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
CID 138490336
5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490343
5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490356
5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490358
5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide
CID 138490372
5-Benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675873
2-Benzoylamino-4,5-dimethyl-thiophene-3-carboxylic acid diethylamide
CID 724942

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide (CID 138490363) is 5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide is Cc1c(C(=O)Nc2ccccc2)sc(N)c1C(=O)NC1CC1.
What is the InChIKey of 5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
The InChIKey is RKHJJSDCMOEEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-9-12(15(20)18-11-7-8-11)14(17)22-13(9)16(21)19-10-5-3-2-4-6-10/h2-6,11H,7-8,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-N-cyclopropyl-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).