N-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C20H19ClN2O3S — CID 42932542

IUPACN-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCCC(NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O3S/c1-3-15(13-6-8-14(21)9-7-13)22-20(25)18-12(2)11-17(27-18)23-19(24)16-5-4-10-26-16/h4-11,15H,3H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMPBLMQXRIYHTHV-UHFFFAOYSA-N
MW402.90 g/mol
LogP5.44
Rot. Bonds6

About N-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 42932542) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is N-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID42932542
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC NameN-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCCC(NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O3S/c1-3-15(13-6-8-14(21)9-7-13)22-20(25)18-12(2)11-17(27-18)23-19(24)16-5-4-10-26-16/h4-11,15H,3H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMPBLMQXRIYHTHV-UHFFFAOYSA-N
XLogP5.44
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.90
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 60579989
2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid
CID 120702247
N-[5-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 34754518
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[5-[2-(ethylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119506646
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-[5-[(1-amino-2-methylpropan-2-yl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 119522920
N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 17491245
N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 46522510
N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 86857844
N-[5-[(2,4-dimethylphenyl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 46587658
N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34112240

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 42932542) is N-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is CCC(NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is MPBLMQXRIYHTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-3-15(13-6-8-14(21)9-7-13)22-20(25)18-12(2)11-17(27-18)23-19(24)16-5-4-10-26-16/h4-11,15H,3H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 402.90 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 42932542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).