2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C18H22ClN3O3S — CID 9335719

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESC[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O3S/c1-13(14-7-9-15(19)10-8-14)20-12-18(23)21-16-5-4-6-17(11-16)26(24,25)22(2)3/h4-11,13,20H,12H2,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyPOJYYUGHHKHBPP-ZDUSSCGKSA-N
MW395.91 g/mol
LogP2.88
Rot. Bonds7

About 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 9335719) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID9335719
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESC[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O3S/c1-13(14-7-9-15(19)10-8-14)20-12-18(23)21-16-5-4-6-17(11-16)26(24,25)22(2)3/h4-11,13,20H,12H2,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyPOJYYUGHHKHBPP-ZDUSSCGKSA-N
XLogP2.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51171745
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea
CID 52502640
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 32705841
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 9336360
N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide
CID 9264035
2-(2,5-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 26416969
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 8637200
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347088
2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9098781

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 9335719) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is POJYYUGHHKHBPP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-13(14-7-9-15(19)10-8-14)20-12-18(23)21-16-5-4-6-17(11-16)26(24,25)22(2)3/h4-11,13,20H,12H2,1-3H3,(H,21,23)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 395.91 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 9335719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).