N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide

C19H27N3O5S — CID 56572573

IUPACN-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)N(CCC#N)C2CCOCC2)cc1
InChIInChI=1S/C19H27N3O5S/c1-15(2)27-18-6-4-16(5-7-18)21-28(24,25)14-19(23)22(11-3-10-20)17-8-12-26-13-9-17/h4-7,15,17,21H,3,8-9,11-14H2,1-2H3
InChIKeyRSZWDJLASKHTTN-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.14
Rot. Bonds9

About N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide

N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide (PubChem CID 56572573) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
PubChem CID56572573
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC NameN-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)N(CCC#N)C2CCOCC2)cc1
InChIInChI=1S/C19H27N3O5S/c1-15(2)27-18-6-4-16(5-7-18)21-28(24,25)14-19(23)22(11-3-10-20)17-8-12-26-13-9-17/h4-7,15,17,21H,3,8-9,11-14H2,1-2H3
InChIKeyRSZWDJLASKHTTN-UHFFFAOYSA-N
XLogP2.14
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-propan-2-yloxyphenyl)sulfamoyl]-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531108
2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid
CID 119198613
N-piperidin-4-yl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 119387593
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55975154
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55821184
2-[(4-propan-2-yloxyphenyl)sulfamoyl]-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119451342
N-(2-cyanoethyl)-3-[4-(diethylsulfamoyl)phenyl]-N-(oxan-4-yl)propanamide
CID 56572768
N-(2-cyanoethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxan-4-yl)benzamide
CID 56572383
2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 119401538
2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 55967104
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55825597
2-methyl-N-[1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidin-4-yl]benzamide
CID 55962836

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide (CID 56572573) is N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide is CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N(CCC#N)C2CCOCC2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The InChIKey is RSZWDJLASKHTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-15(2)27-18-6-4-16(5-7-18)21-28(24,25)14-19(23)22(11-3-10-20)17-8-12-26-13-9-17/h4-7,15,17,21H,3,8-9,11-14H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide has a molecular weight of 409.51 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide is sourced from PubChem (CID 56572573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).