N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C18H22N2O3S — CID 134061007

IUPACN-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCCN(C(=O)c1sc(NC(=O)c2ccco2)cc1C)C1CCCC1
InChIInChI=1S/C18H22N2O3S/c1-3-20(13-7-4-5-8-13)18(22)16-12(2)11-15(24-16)19-17(21)14-9-6-10-23-14/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,19,21)
InChIKeyHRYWQHRGFXNIEY-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.31
Rot. Bonds5

About N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 134061007) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID134061007
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCCN(C(=O)c1sc(NC(=O)c2ccco2)cc1C)C1CCCC1
InChIInChI=1S/C18H22N2O3S/c1-3-20(13-7-4-5-8-13)18(22)16-12(2)11-15(24-16)19-17(21)14-9-6-10-23-14/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,19,21)
InChIKeyHRYWQHRGFXNIEY-UHFFFAOYSA-N
XLogP4.31
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
CID 119195335
N-[4-methyl-5-[methyl(piperidin-4-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119442590
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55806058
N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119551954
N-[5-(2-cyclopentylpyrrolidine-1-carbonyl)-4-methylthiophen-2-yl]furan-2-carboxamide
CID 71889888
N-[5-[2-(ethylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119506646
N-[4-methyl-5-(pyrrolidin-2-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119511877
N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 78855793
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 38044186
N-[4-methyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31850637

Frequently Asked Questions

What is the IUPAC name of N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 134061007) is N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is CCN(C(=O)c1sc(NC(=O)c2ccco2)cc1C)C1CCCC1.
What is the InChIKey of N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is HRYWQHRGFXNIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-20(13-7-4-5-8-13)18(22)16-12(2)11-15(24-16)19-17(21)14-9-6-10-23-14/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 134061007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).