N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide

C20H20N2O4S — CID 51206832

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O4S/c1-13(19-12-14-5-2-3-8-18(14)26-19)21-20(23)15-6-4-7-17(11-15)27(24,25)22-16-9-10-16/h2-8,11-13,16,22H,9-10H2,1H3,(H,21,23)
InChIKeyISUIGRZJUXSLOK-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.36
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide

N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 51206832) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide
PubChem CID51206832
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O4S/c1-13(19-12-14-5-2-3-8-18(14)26-19)21-20(23)15-6-4-7-17(11-15)27(24,25)22-16-9-10-16/h2-8,11-13,16,22H,9-10H2,1H3,(H,21,23)
InChIKeyISUIGRZJUXSLOK-UHFFFAOYSA-N
XLogP3.36
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide
CID 9368958
3-(cyclopentylsulfamoyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]benzamide
CID 55588486
N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
CID 43057041
N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 46489933
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582
3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46570374
N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119495504
N-[3-(cyclopropylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 24582373
N-[1-(3-chlorophenyl)ethyl]-3-(cyclopentylsulfamoyl)benzamide
CID 46671519
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46691945
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 98785453

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide (CID 51206832) is N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide is CC(NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is ISUIGRZJUXSLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-13(19-12-14-5-2-3-8-18(14)26-19)21-20(23)15-6-4-7-17(11-15)27(24,25)22-16-9-10-16/h2-8,11-13,16,22H,9-10H2,1H3,(H,21,23).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide?
N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 384.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 51206832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).