N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide

C14H20N2O4S — CID 9470209

IUPACN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
SMILESCCOc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H20N2O4S/c1-4-20-12-8-7-11(15-14(17)10-5-6-10)9-13(12)21(18,19)16(2)3/h7-10H,4-6H2,1-3H3,(H,15,17)
InChIKeyIQCISYVBYOGLHL-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.68
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide (PubChem CID 9470209) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
PubChem CID9470209
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
SMILESCCOc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H20N2O4S/c1-4-20-12-8-7-11(15-14(17)10-5-6-10)9-13(12)21(18,19)16(2)3/h7-10H,4-6H2,1-3H3,(H,15,17)
InChIKeyIQCISYVBYOGLHL-UHFFFAOYSA-N
XLogP1.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672346
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclohex-3-ene-1-carboxamide
CID 51212890
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide
CID 8849768
(2S,5R)-5-(aminomethyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]oxolane-2-carboxamide
CID 120784662
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134013
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
(2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25481154
1-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953029
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 21175502

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide (CID 9470209) is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide is CCOc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide?
The InChIKey is IQCISYVBYOGLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-4-20-12-8-7-11(15-14(17)10-5-6-10)9-13(12)21(18,19)16(2)3/h7-10H,4-6H2,1-3H3,(H,15,17).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide?
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 9470209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).