N-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C22H21ClN2O4S — CID 60574915

IUPACN-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C22H21ClN2O4S/c1-13-11-19(25-21(26)18-7-4-10-28-18)30-20(13)22(27)24-14-8-9-17(16(23)12-14)29-15-5-2-3-6-15/h4,7-12,15H,2-3,5-6H2,1H3,(H,24,27)(H,25,26)
InChIKeyHZRMWRGNSSKWSG-UHFFFAOYSA-N
MW444.94 g/mol
LogP6.13
Rot. Bonds6

About N-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 60574915) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID60574915
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC NameN-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C22H21ClN2O4S/c1-13-11-19(25-21(26)18-7-4-10-28-18)30-20(13)22(27)24-14-8-9-17(16(23)12-14)29-15-5-2-3-6-15/h4,7-12,15H,2-3,5-6H2,1H3,(H,24,27)(H,25,26)
InChIKeyHZRMWRGNSSKWSG-UHFFFAOYSA-N
XLogP6.13
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.94
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 17491245
N-[5-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 34754518
N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 86857844
N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 134061007
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 51297207
N-[5-[[4-(cyanomethyl)phenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 35708139
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55806058
N-[5-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 25443607
4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230122
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-[5-(2-cyclopentylpyrrolidine-1-carbonyl)-4-methylthiophen-2-yl]furan-2-carboxamide
CID 71889888

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 60574915) is N-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1.
What is the InChIKey of N-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is HZRMWRGNSSKWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-13-11-19(25-21(26)18-7-4-10-28-18)30-20(13)22(27)24-14-8-9-17(16(23)12-14)29-15-5-2-3-6-15/h4,7-12,15H,2-3,5-6H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 444.94 g/mol, XLogP of 6.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 60574915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).