N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

C16H26N4O4S — CID 8914627

IUPACN-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CN(C)CC(=O)NC(C)C)ccc1C
InChIInChI=1S/C16H26N4O4S/c1-11(2)18-15(21)9-20(5)10-16(22)19-13-7-6-12(3)14(8-13)25(23,24)17-4/h6-8,11,17H,9-10H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyIYMRPXRZNYZZRA-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.30
Rot. Bonds8

About N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (PubChem CID 8914627) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
PubChem CID8914627
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CN(C)CC(=O)NC(C)C)ccc1C
InChIInChI=1S/C16H26N4O4S/c1-11(2)18-15(21)9-20(5)10-16(22)19-13-7-6-12(3)14(8-13)25(23,24)17-4/h6-8,11,17H,9-10H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyIYMRPXRZNYZZRA-UHFFFAOYSA-N
XLogP0.30
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 8542629
5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
CID 82013611
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
N-[4-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049481
N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048943
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049077
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
CID 55680503
(3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 8893593
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8923998
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 86826328
2-[cyclopropylmethyl(propyl)amino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 86910911
N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048960

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (CID 8914627) is N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The canonical SMILES for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is CNS(=O)(=O)c1cc(NC(=O)CN(C)CC(=O)NC(C)C)ccc1C.
What is the InChIKey of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The InChIKey is IYMRPXRZNYZZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-11(2)18-15(21)9-20(5)10-16(22)19-13-7-6-12(3)14(8-13)25(23,24)17-4/h6-8,11,17H,9-10H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide has a molecular weight of 370.48 g/mol, XLogP of 0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is sourced from PubChem (CID 8914627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).