N-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide

C19H23N3O6S — CID 47008033

IUPACN-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)N(CCC#N)Cc2ccco2)cc1OC
InChIInChI=1S/C19H23N3O6S/c1-26-17-7-6-16(13-18(17)27-2)29(24,25)21-10-8-19(23)22(11-4-9-20)14-15-5-3-12-28-15/h3,5-7,12-13,21H,4,8,10-11,14H2,1-2H3
InChIKeySBCWAIHEMIXKPR-UHFFFAOYSA-N
MW421.48 g/mol
LogP1.91
Rot. Bonds11

About N-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide

N-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 47008033) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
PubChem CID47008033
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC NameN-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)N(CCC#N)Cc2ccco2)cc1OC
InChIInChI=1S/C19H23N3O6S/c1-26-17-7-6-16(13-18(17)27-2)29(24,25)21-10-8-19(23)22(11-4-9-20)14-15-5-3-12-28-15/h3,5-7,12-13,21H,4,8,10-11,14H2,1-2H3
InChIKeySBCWAIHEMIXKPR-UHFFFAOYSA-N
XLogP1.91
TPSA121.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 86910321
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 78798540
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
CID 60687664
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 166434939
4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 81438347
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 25469575
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide (CID 47008033) is N-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide is COc1ccc(S(=O)(=O)NCCC(=O)N(CCC#N)Cc2ccco2)cc1OC.
What is the InChIKey of N-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is SBCWAIHEMIXKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-26-17-7-6-16(13-18(17)27-2)29(24,25)21-10-8-19(23)22(11-4-9-20)14-15-5-3-12-28-15/h3,5-7,12-13,21H,4,8,10-11,14H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
N-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 421.48 g/mol, XLogP of 1.91, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 47008033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).