2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide

C23H33N3O3S — CID 8650517

IUPAC2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)N(C)[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C23H33N3O3S/c1-6-26(7-2)30(28,29)22-15-13-20(14-16-22)18(3)24-17-23(27)25(5)19(4)21-11-9-8-10-12-21/h8-16,18-19,24H,6-7,17H2,1-5H3/t18-,19+/m0/s1
InChIKeyQWYQOLPDGRTVFQ-RBUKOAKNSA-N
MW431.60 g/mol
LogP3.59
Rot. Bonds10

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

2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 8650517) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is 2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
PubChem CID8650517
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC Name2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)N(C)[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C23H33N3O3S/c1-6-26(7-2)30(28,29)22-15-13-20(14-16-22)18(3)24-17-23(27)25(5)19(4)21-11-9-8-10-12-21/h8-16,18-19,24H,6-7,17H2,1-5H3/t18-,19+/m0/s1
InChIKeyQWYQOLPDGRTVFQ-RBUKOAKNSA-N
XLogP3.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide
CID 8643844
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
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
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 51188228
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9393924
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9393920
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide
CID 55339007

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide (CID 8650517) is 2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide is CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)N(C)[C@H](C)c2ccccc2)cc1.
What is the InChIKey of 2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is QWYQOLPDGRTVFQ-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-6-26(7-2)30(28,29)22-15-13-20(14-16-22)18(3)24-17-23(27)25(5)19(4)21-11-9-8-10-12-21/h8-16,18-19,24H,6-7,17H2,1-5H3/t18-,19+/m0/s1.
What are the key properties of 2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 431.60 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 8650517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).