2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide

C17H12ClFN2O2S2 — CID 1245031

IUPAC2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(Cl)s2)c(C(N)=O)c1-c1ccc(F)cc1
InChIInChI=1S/C17H12ClFN2O2S2/c1-8-13(9-2-4-10(19)5-3-9)14(15(20)22)17(24-8)21-16(23)11-6-7-12(18)25-11/h2-7H,1H3,(H2,20,22)(H,21,23)
InChIKeyZYUHQVCJWRZPHS-UHFFFAOYSA-N
MW394.88 g/mol
LogP4.93
Rot. Bonds4

About 2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide

2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide (PubChem CID 1245031) has the molecular formula C17H12ClFN2O2S2 and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide
PubChem CID1245031
Molecular FormulaC17H12ClFN2O2S2
Molecular Weight394.88 g/mol
Exact Mass394.00
IUPAC Name2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(Cl)s2)c(C(N)=O)c1-c1ccc(F)cc1
InChIInChI=1S/C17H12ClFN2O2S2/c1-8-13(9-2-4-10(19)5-3-9)14(15(20)22)17(24-8)21-16(23)11-6-7-12(18)25-11/h2-7H,1H3,(H2,20,22)(H,21,23)
InChIKeyZYUHQVCJWRZPHS-UHFFFAOYSA-N
XLogP4.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide
CID 4075749
2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55572335
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1245265
ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
CID 84560402
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55670322
ethyl 4-(4-fluorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
CID 4570373
methyl 2-(cyclopropanecarbonylamino)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
CID 4073091
4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120
(E)-4-[[3-carbamoyl-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-2-methyl-4-oxobut-2-enoic acid
CID 998159
2-[(5-chlorothiophene-2-carbonyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4317068
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-methylfuran-3-carboxamide
CID 1245726
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 55572668

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide (CID 1245031) is 2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide is Cc1sc(NC(=O)c2ccc(Cl)s2)c(C(N)=O)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide?
The InChIKey is ZYUHQVCJWRZPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2S2/c1-8-13(9-2-4-10(19)5-3-9)14(15(20)22)17(24-8)21-16(23)11-6-7-12(18)25-11/h2-7H,1H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide?
2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1245031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).