N-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide

C21H23N3O4S — CID 56534745

IUPACN-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide
SMILESN#CCCN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CCOCC1
InChIInChI=1S/C21H23N3O4S/c22-13-4-14-24(19-11-15-28-16-12-19)21(25)17-7-9-20(10-8-17)29(26,27)23-18-5-2-1-3-6-18/h1-3,5-10,19,23H,4,11-12,14-16H2
InChIKeySHNUSXRUTXSUEA-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.02
Rot. Bonds7

About N-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide

N-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide (PubChem CID 56534745) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide
PubChem CID56534745
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide
SMILESN#CCCN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CCOCC1
InChIInChI=1S/C21H23N3O4S/c22-13-4-14-24(19-11-15-28-16-12-19)21(25)17-7-9-20(10-8-17)29(26,27)23-18-5-2-1-3-6-18/h1-3,5-10,19,23H,4,11-12,14-16H2
InChIKeySHNUSXRUTXSUEA-UHFFFAOYSA-N
XLogP3.02
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxan-4-yl)benzamide
CID 56572383
N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56784305
N-(2-cyanoethyl)-N-(oxan-4-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 56534737
N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide
CID 113094220
N-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide
CID 56572696
N-(2-cyanoethyl)-N-(cyclobutylmethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 71856009
N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 56572573
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 118720903
N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
CID 54997505
N-(2-cyanoethyl)-5-morpholin-4-yl-N-(oxan-4-yl)-4-phenylthiophene-2-carboxamide
CID 56572728
3-[(4-chlorobenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146334
4-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 28567343

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide (CID 56534745) is N-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide is N#CCCN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CCOCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide?
The InChIKey is SHNUSXRUTXSUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c22-13-4-14-24(19-11-15-28-16-12-19)21(25)17-7-9-20(10-8-17)29(26,27)23-18-5-2-1-3-6-18/h1-3,5-10,19,23H,4,11-12,14-16H2.
What are the key properties of N-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide?
N-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide has a molecular weight of 413.50 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 56534745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).