3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide

C17H20N2O5S — CID 86981028

IUPAC3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1ccco1)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C17H20N2O5S/c20-15(16-5-2-8-24-16)11-18-17(21)13-3-1-4-14(9-13)25(22,23)19-10-12-6-7-12/h1-5,8-9,12,15,19-20H,6-7,10-11H2,(H,18,21)
InChIKeyWNRKJSMIWZSFGH-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.43
Rot. Bonds8

About 3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide

3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide (PubChem CID 86981028) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
PubChem CID86981028
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1ccco1)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C17H20N2O5S/c20-15(16-5-2-8-24-16)11-18-17(21)13-3-1-4-14(9-13)25(22,23)19-10-12-6-7-12/h1-5,8-9,12,15,19-20H,6-7,10-11H2,(H,18,21)
InChIKeyWNRKJSMIWZSFGH-UHFFFAOYSA-N
XLogP1.43
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24981861
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37002294
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide
CID 78868922
3-(cyclopropylmethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 47039154
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 78867799
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365
3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 51953527
3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
CID 36991894

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide (CID 86981028) is 3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide is O=C(NCC(O)c1ccco1)c1cccc(S(=O)(=O)NCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide?
The InChIKey is WNRKJSMIWZSFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c20-15(16-5-2-8-24-16)11-18-17(21)13-3-1-4-14(9-13)25(22,23)19-10-12-6-7-12/h1-5,8-9,12,15,19-20H,6-7,10-11H2,(H,18,21).
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide?
3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide has a molecular weight of 364.42 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 86981028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).