N-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide

C18H15ClN2O3S — CID 2932997

IUPACN-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)c(C)o1
InChIInChI=1S/C18H15ClN2O3S/c1-9-7-13(10(2)24-9)17(23)21-18-15(16(20)22)14(8-25-18)11-3-5-12(19)6-4-11/h3-8H,1-2H3,(H2,20,22)(H,21,23)
InChIKeySOYTUEPBHDREKW-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.63
Rot. Bonds4

About N-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide

N-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 2932997) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID2932997
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC NameN-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)c(C)o1
InChIInChI=1S/C18H15ClN2O3S/c1-9-7-13(10(2)24-9)17(23)21-18-15(16(20)22)14(8-25-18)11-3-5-12(19)6-4-11/h3-8H,1-2H3,(H2,20,22)(H,21,23)
InChIKeySOYTUEPBHDREKW-UHFFFAOYSA-N
XLogP4.63
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 5-{[(4-chlorophenyl)amino]carbonyl}-2-[(2,5-dimethyl-3-furoyl)amino]-4-methyl-3-thiophenecarboxylate
CID 1226259
N-[3-(aminocarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-methyl-3-furamide
CID 2862590
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methylfuran-3-carboxamide
CID 868903
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-methyl-3-furancarboxamide
CID 1245035
N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide
CID 4788121
Ethyl 4-(4-fluorophenyl)-2-[(2-methyl-3-furoyl)amino]-3-thiophenecarboxylate
CID 1000643
N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 1226241
Propan-2-yl 2-{[(2,5-dimethylfuran-3-yl)carbonyl]amino}-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
CID 2168944
N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-methylfuran-3-carboxamide
CID 887189
N-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 1291670
N-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 2814787
(E)-ethyl 4-(4-chlorophenyl)-2-(3-(furan-2-yl)acrylamido)thiophene-3-carboxylate
CID 5450806

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide (CID 2932997) is N-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)c(C)o1.
What is the InChIKey of N-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is SOYTUEPBHDREKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-9-7-13(10(2)24-9)17(23)21-18-15(16(20)22)14(8-25-18)11-3-5-12(19)6-4-11/h3-8H,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of N-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide?
N-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 374.85 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2932997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).