N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide

C20H27N3O3S — CID 9264035

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide
SMILESCC[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C)cc1
InChIInChI=1S/C20H27N3O3S/c1-5-19(16-11-9-15(2)10-12-16)21-14-20(24)22-17-7-6-8-18(13-17)27(25,26)23(3)4/h6-13,19,21H,5,14H2,1-4H3,(H,22,24)/t19-/m1/s1
InChIKeyUSFONGHIJIINQV-LJQANCHMSA-N
MW389.52 g/mol
LogP2.92
Rot. Bonds8

About N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide (PubChem CID 9264035) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide
PubChem CID9264035
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide
SMILESCC[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C)cc1
InChIInChI=1S/C20H27N3O3S/c1-5-19(16-11-9-15(2)10-12-16)21-14-20(24)22-17-7-6-8-18(13-17)27(25,26)23(3)4/h6-13,19,21H,5,14H2,1-4H3,(H,22,24)/t19-/m1/s1
InChIKeyUSFONGHIJIINQV-LJQANCHMSA-N
XLogP2.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9335719
3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide
CID 8624124
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729171
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477
N-(3,5-dimethylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 4879510
2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51171745
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide
CID 8646220
N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide
CID 54845868
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide
CID 51277442
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide (CID 9264035) is N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide is CC[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C)cc1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide?
The InChIKey is USFONGHIJIINQV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-5-19(16-11-9-15(2)10-12-16)21-14-20(24)22-17-7-6-8-18(13-17)27(25,26)23(3)4/h6-13,19,21H,5,14H2,1-4H3,(H,22,24)/t19-/m1/s1.
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide has a molecular weight of 389.52 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide is sourced from PubChem (CID 9264035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).