N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide

C18H14ClNO3S — CID 1206485

IUPACN-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
SMILESCc1sc(NC(=O)c2ccco2)c(C(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H14ClNO3S/c1-10-11(2)24-18(20-17(22)14-4-3-9-23-14)15(10)16(21)12-5-7-13(19)8-6-12/h3-9H,1-2H3,(H,20,22)
InChIKeyUYPAJNACNZXWIE-UHFFFAOYSA-N
MW359.83 g/mol
LogP5.09
Rot. Bonds4

About N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide

N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide (PubChem CID 1206485) has the molecular formula C18H14ClNO3S and a molecular weight of 359.83 g/mol. Its IUPAC name is N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
PubChem CID1206485
Molecular FormulaC18H14ClNO3S
Molecular Weight359.83 g/mol
Exact Mass359.04
IUPAC NameN-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
SMILESCc1sc(NC(=O)c2ccco2)c(C(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H14ClNO3S/c1-10-11(2)24-18(20-17(22)14-4-3-9-23-14)15(10)16(21)12-5-7-13(19)8-6-12/h3-9H,1-2H3,(H,20,22)
InChIKeyUYPAJNACNZXWIE-UHFFFAOYSA-N
XLogP5.09
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.83
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 7520892
N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide
CID 39161723
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 3165980
dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
CID 843075
methyl 2-[(furan-2-carbonylamino)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
CID 5158593
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide
CID 1374953
N-[5-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46420472
N'-(4-chlorophenyl)furan-2-carbohydrazide
CID 3043690
N-[4,5-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]furan-2-carboxamide
CID 46299802
N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide
CID 10970141

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide (CID 1206485) is N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide is Cc1sc(NC(=O)c2ccco2)c(C(=O)c2ccc(Cl)cc2)c1C.
What is the InChIKey of N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is UYPAJNACNZXWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3S/c1-10-11(2)24-18(20-17(22)14-4-3-9-23-14)15(10)16(21)12-5-7-13(19)8-6-12/h3-9H,1-2H3,(H,20,22).
What are the key properties of N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 359.83 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1206485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).