N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide

C17H22N2O4S — CID 91950528

IUPACN-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide
SMILESCCN(CC1CC1)C(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2o1
InChIInChI=1S/C17H22N2O4S/c1-4-19(11-12-5-6-12)17(20)16-10-13-9-14(7-8-15(13)23-16)24(21,22)18(2)3/h7-10,12H,4-6,11H2,1-3H3
InChIKeyFUKRICTXJMNJAY-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.56
Rot. Bonds6

About N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide

N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide (PubChem CID 91950528) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide
PubChem CID91950528
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide
SMILESCCN(CC1CC1)C(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2o1
InChIInChI=1S/C17H22N2O4S/c1-4-19(11-12-5-6-12)17(20)16-10-13-9-14(7-8-15(13)23-16)24(21,22)18(2)3/h7-10,12H,4-6,11H2,1-3H3
InChIKeyFUKRICTXJMNJAY-UHFFFAOYSA-N
XLogP2.56
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 94805874
5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
CID 61094776
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 55960779
4-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65397831
5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 51149690
5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 61094573
5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 91950519
5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide
CID 91950507
N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 113330085
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 61094259
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide
CID 71737633

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide (CID 91950528) is N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide is CCN(CC1CC1)C(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2o1.
What is the InChIKey of N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide?
The InChIKey is FUKRICTXJMNJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-4-19(11-12-5-6-12)17(20)16-10-13-9-14(7-8-15(13)23-16)24(21,22)18(2)3/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide?
N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91950528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).