N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide

C17H22N2O4S — CID 31303145

IUPACN-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
SMILESCCCCOCCCNC(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C17H22N2O4S/c1-2-3-10-22-11-5-9-18-17(21)14-7-8-15(24-14)19-16(20)13-6-4-12-23-13/h4,6-8,12H,2-3,5,9-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyZBMZLIMRYLQHEN-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.53
Rot. Bonds10

About N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide

N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide (PubChem CID 31303145) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
PubChem CID31303145
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
SMILESCCCCOCCCNC(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C17H22N2O4S/c1-2-3-10-22-11-5-9-18-17(21)14-7-8-15(24-14)19-16(20)13-6-4-12-23-13/h4,6-8,12H,2-3,5,9-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyZBMZLIMRYLQHEN-UHFFFAOYSA-N
XLogP3.53
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.53
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-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 55718156
N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 38613730
N-[5-[(2-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302984
N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60553481
N-[5-[(2-hydroxycyclopentyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 111471137
N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31309961
N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide
CID 106307618
N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55516916
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579
N-(3-butoxypropyl)-2-(furan-2-yl)acetamide
CID 110484658
2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 46512241

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide (CID 31303145) is N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide is CCCCOCCCNC(=O)c1ccc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The InChIKey is ZBMZLIMRYLQHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-2-3-10-22-11-5-9-18-17(21)14-7-8-15(24-14)19-16(20)13-6-4-12-23-13/h4,6-8,12H,2-3,5,9-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 31303145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).