2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C14H23N3O3S — CID 60646929

IUPAC2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCCC(C)NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-5-11(2)15-10-14(18)16-12-7-6-8-13(9-12)21(19,20)17(3)4/h6-9,11,15H,5,10H2,1-4H3,(H,16,18)
InChIKeyRPLQTKOAANCRMS-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.26
Rot. Bonds7

About 2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 60646929) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID60646929
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCCC(C)NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-5-11(2)15-10-14(18)16-12-7-6-8-13(9-12)21(19,20)17(3)4/h6-9,11,15H,5,10H2,1-4H3,(H,16,18)
InChIKeyRPLQTKOAANCRMS-UHFFFAOYSA-N
XLogP1.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide
CID 9264035
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9335719
2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51171745
2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide
CID 115376908
1-[(2R)-butan-2-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8619665
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
2-(butan-2-ylamino)-N-(3-hydroxyphenyl)acetamide
CID 61166125
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049077
2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 60852855
N-(3,5-dimethylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 4879510
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide
CID 51277442

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 60646929) is 2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CCC(C)NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is RPLQTKOAANCRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-11(2)15-10-14(18)16-12-7-6-8-13(9-12)21(19,20)17(3)4/h6-9,11,15H,5,10H2,1-4H3,(H,16,18).
What are the key properties of 2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 313.42 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 60646929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).