N-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

C21H21F2N3O4S — CID 56536959

IUPACN-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NC(C#N)c2ccc(F)cc2F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H21F2N3O4S/c1-2-14-3-4-15(11-20(14)31(28,29)26-7-9-30-10-8-26)21(27)25-19(13-24)17-6-5-16(22)12-18(17)23/h3-6,11-12,19H,2,7-10H2,1H3,(H,25,27)
InChIKeyFBKQERUAPMBUEU-UHFFFAOYSA-N
MW449.48 g/mol
LogP2.54
Rot. Bonds6

About N-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

N-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 56536959) has the molecular formula C21H21F2N3O4S and a molecular weight of 449.48 g/mol. Its IUPAC name is N-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID56536959
Molecular FormulaC21H21F2N3O4S
Molecular Weight449.48 g/mol
Exact Mass449.12
IUPAC NameN-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NC(C#N)c2ccc(F)cc2F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H21F2N3O4S/c1-2-14-3-4-15(11-20(14)31(28,29)26-7-9-30-10-8-26)21(27)25-19(13-24)17-6-5-16(22)12-18(17)23/h3-6,11-12,19H,2,7-10H2,1H3,(H,25,27)
InChIKeyFBKQERUAPMBUEU-UHFFFAOYSA-N
XLogP2.54
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyano-(2,4-difluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 56536851
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579646
N-(4-chloro-3-cyanophenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579596
N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55578878
N-(1-amino-4-methylpentan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119585997
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 84834881
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46401617
4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide
CID 46581143
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (CID 56536959) is N-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)NC(C#N)c2ccc(F)cc2F)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is FBKQERUAPMBUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O4S/c1-2-14-3-4-15(11-20(14)31(28,29)26-7-9-30-10-8-26)21(27)25-19(13-24)17-6-5-16(22)12-18(17)23/h3-6,11-12,19H,2,7-10H2,1H3,(H,25,27).
What are the key properties of N-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
N-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 449.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2,4-difluorophenyl)methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 56536959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).