N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide

C17H22N2O4S — CID 55488982

IUPACN-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NCCCOC(C)C
InChIInChI=1S/C17H22N2O4S/c1-11(2)22-9-5-7-18-17(21)15-12(3)10-14(24-15)19-16(20)13-6-4-8-23-13/h4,6,8,10-11H,5,7,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyPNGMOQGYYHVGPC-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.45
Rot. Bonds8

About N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide

N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide (PubChem CID 55488982) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
PubChem CID55488982
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NCCCOC(C)C
InChIInChI=1S/C17H22N2O4S/c1-11(2)22-9-5-7-18-17(21)15-12(3)10-14(24-15)19-16(20)13-6-4-8-23-13/h4,6,8,10-11H,5,7,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyPNGMOQGYYHVGPC-UHFFFAOYSA-N
XLogP3.45
TPSA80.57 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 ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55588228
N-[5-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 26011625
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55806058
N-[5-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 33319271
N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119446697
N-[5-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 32954737
N-[5-[(2,4-dimethylphenyl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 46587658
2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid
CID 120702247
N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55782529
N-[5-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 39983594

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide (CID 55488982) is N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCCCOC(C)C.
What is the InChIKey of N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The InChIKey is PNGMOQGYYHVGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-11(2)22-9-5-7-18-17(21)15-12(3)10-14(24-15)19-16(20)13-6-4-8-23-13/h4,6,8,10-11H,5,7,9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55488982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).