N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C17H22N2O4S — CID 78855793

IUPACN-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1sc(NC(=O)c2ccco2)cc1C
InChIInChI=1S/C17H22N2O4S/c1-3-4-7-19(8-9-20)17(22)15-12(2)11-14(24-15)18-16(21)13-6-5-10-23-13/h5-6,10-11,20H,3-4,7-9H2,1-2H3,(H,18,21)
InChIKeyWCRJRQKUTKNLIQ-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.14
Rot. Bonds8

About N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 78855793) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID78855793
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1sc(NC(=O)c2ccco2)cc1C
InChIInChI=1S/C17H22N2O4S/c1-3-4-7-19(8-9-20)17(22)15-12(2)11-14(24-15)18-16(21)13-6-5-10-23-13/h5-6,10-11,20H,3-4,7-9H2,1-2H3,(H,18,21)
InChIKeyWCRJRQKUTKNLIQ-UHFFFAOYSA-N
XLogP3.14
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193298
N-[5-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 32954737
N-[5-[2-(ethylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119506646
N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 86833515
N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 134061007
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
CID 119195335
N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 38044186
N-[5-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 47926915
N-[5-[(2,4-dimethylphenyl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 46587658
N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 55488982
N-[4-methyl-5-[methyl(piperidin-4-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119442590

Frequently Asked Questions

What is the IUPAC name of N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 78855793) is N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is CCCCN(CCO)C(=O)c1sc(NC(=O)c2ccco2)cc1C.
What is the InChIKey of N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is WCRJRQKUTKNLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-3-4-7-19(8-9-20)17(22)15-12(2)11-14(24-15)18-16(21)13-6-5-10-23-13/h5-6,10-11,20H,3-4,7-9H2,1-2H3,(H,18,21).
What are the key properties of N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 78855793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).