2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide

C21H29N3O3S — CID 8643844

IUPAC2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C21H29N3O3S/c1-5-24(6-2)28(26,27)20-14-12-18(13-15-20)17(3)22-16-21(25)23(4)19-10-8-7-9-11-19/h7-15,17,22H,5-6,16H2,1-4H3/t17-/m1/s1
InChIKeyWGLYOBHEHDNUCD-QGZVFWFLSA-N
MW403.55 g/mol
LogP3.03
Rot. Bonds9

About 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide

2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide (PubChem CID 8643844) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide
PubChem CID8643844
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C21H29N3O3S/c1-5-24(6-2)28(26,27)20-14-12-18(13-15-20)17(3)22-16-21(25)23(4)19-10-8-7-9-11-19/h7-15,17,22H,5-6,16H2,1-4H3/t17-/m1/s1
InChIKeyWGLYOBHEHDNUCD-QGZVFWFLSA-N
XLogP3.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8650517
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide
CID 8650299
N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide
CID 42937239
[2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2431081
N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide
CID 8649700
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide
CID 111750198
4-[(1S)-1-[[2-(azepan-1-yl)-2-oxoethyl]amino]ethyl]-N,N-diethylbenzenesulfonamide
CID 8643973
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9393920
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9393924
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide
CID 55339007
N,N-diphenyl-2-(1-phenylethylamino)acetamide
CID 68968814

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide (CID 8643844) is 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide is CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide?
The InChIKey is WGLYOBHEHDNUCD-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-5-24(6-2)28(26,27)20-14-12-18(13-15-20)17(3)22-16-21(25)23(4)19-10-8-7-9-11-19/h7-15,17,22H,5-6,16H2,1-4H3/t17-/m1/s1.
What are the key properties of 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide?
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide has a molecular weight of 403.55 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 8643844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).