4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide

C20H18FN3O2S — CID 4075749

IUPAC4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide
SMILESCc1ccc(NC(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(N)=O)cc1
InChIInChI=1S/C20H18FN3O2S/c1-11-3-9-15(10-4-11)23-20(26)24-19-17(18(22)25)16(12(2)27-19)13-5-7-14(21)8-6-13/h3-10H,1-2H3,(H2,22,25)(H2,23,24,26)
InChIKeyZZOHHAXEBJGVFJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.91
Rot. Bonds4

About 4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide

4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide (PubChem CID 4075749) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide
PubChem CID4075749
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide
SMILESCc1ccc(NC(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(N)=O)cc1
InChIInChI=1S/C20H18FN3O2S/c1-11-3-9-15(10-4-11)23-20(26)24-19-17(18(22)25)16(12(2)27-19)13-5-7-14(21)8-6-13/h3-10H,1-2H3,(H2,22,25)(H2,23,24,26)
InChIKeyZZOHHAXEBJGVFJ-UHFFFAOYSA-N
XLogP4.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide
CID 1245031
2-[(4-fluorophenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide
CID 681202
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-fluorophenyl)urea
CID 6539995
(1R,6R)-6-[[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 27522173
cis-(1R,2S)-2-[[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27522314
6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide
CID 11210016
2-[(4-fluorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 69445146
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55670322
N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173529
methyl 2-(cyclopropanecarbonylamino)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
CID 4073091
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
2-[(4-bromophenyl)carbamoylamino]-6-methyl-1-benzothiophene-3-carboxamide
CID 11281142

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide (CID 4075749) is 4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide is Cc1ccc(NC(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(N)=O)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide?
The InChIKey is ZZOHHAXEBJGVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-11-3-9-15(10-4-11)23-20(26)24-19-17(18(22)25)16(12(2)27-19)13-5-7-14(21)8-6-13/h3-10H,1-2H3,(H2,22,25)(H2,23,24,26).
What are the key properties of 4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide?
4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 4075749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).