4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide

C17H23N3O4S2 — CID 20937330

IUPAC4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)NCCN(Cc2ccco2)C2CCCC2)cs1
InChIInChI=1S/C17H23N3O4S2/c18-17(21)16-10-15(12-25-16)26(22,23)19-7-8-20(13-4-1-2-5-13)11-14-6-3-9-24-14/h3,6,9-10,12-13,19H,1-2,4-5,7-8,11H2,(H2,18,21)
InChIKeyYDOGEKKRGCKBOA-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.16
Rot. Bonds9

About 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide

4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide (PubChem CID 20937330) has the molecular formula C17H23N3O4S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide
PubChem CID20937330
Molecular FormulaC17H23N3O4S2
Molecular Weight397.52 g/mol
Exact Mass397.11
IUPAC Name4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)NCCN(Cc2ccco2)C2CCCC2)cs1
InChIInChI=1S/C17H23N3O4S2/c18-17(21)16-10-15(12-25-16)26(22,23)19-7-8-20(13-4-1-2-5-13)11-14-6-3-9-24-14/h3,6,9-10,12-13,19H,1-2,4-5,7-8,11H2,(H2,18,21)
InChIKeyYDOGEKKRGCKBOA-UHFFFAOYSA-N
XLogP2.16
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62573857
2-[cyclohexyl(furan-2-ylmethyl)amino]ethanol
CID 62016796
N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936133
N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine
CID 55828003
N-cyclopentyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 60738271
3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79630506
N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107026650
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556371
5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63578588
N-benzyl-2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 55827745
4-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 124705074
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone
CID 62029916

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide (CID 20937330) is 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide is NC(=O)c1cc(S(=O)(=O)NCCN(Cc2ccco2)C2CCCC2)cs1.
What is the InChIKey of 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is YDOGEKKRGCKBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S2/c18-17(21)16-10-15(12-25-16)26(22,23)19-7-8-20(13-4-1-2-5-13)11-14-6-3-9-24-14/h3,6,9-10,12-13,19H,1-2,4-5,7-8,11H2,(H2,18,21).
What are the key properties of 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide?
4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20937330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).