N'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide

C14H18N4O6S — CID 53437757

IUPACN'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide
SMILESCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C(=O)C(N)=O)cc1
InChIInChI=1S/C14H18N4O6S/c1-3-8-16-12(20)13(21)17-9-4-6-10(7-5-9)25(23,24)18(2)14(22)11(15)19/h4-7H,3,8H2,1-2H3,(H2,15,19)(H,16,20)(H,17,21)
InChIKeyOVNJTLQSPKKQJI-UHFFFAOYSA-N
MW370.39 g/mol
LogP-1.22
Rot. Bonds5

About N'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide

N'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide (PubChem CID 53437757) has the molecular formula C14H18N4O6S and a molecular weight of 370.39 g/mol. Its IUPAC name is N'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide.

Molecular Properties

Compound NameN'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide
PubChem CID53437757
Molecular FormulaC14H18N4O6S
Molecular Weight370.39 g/mol
Exact Mass370.09
IUPAC NameN'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide
SMILESCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C(=O)C(N)=O)cc1
InChIInChI=1S/C14H18N4O6S/c1-3-8-16-12(20)13(21)17-9-4-6-10(7-5-9)25(23,24)18(2)14(22)11(15)19/h4-7H,3,8H2,1-2H3,(H2,15,19)(H,16,20)(H,17,21)
InChIKeyOVNJTLQSPKKQJI-UHFFFAOYSA-N
XLogP-1.22
TPSA155.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-phenyl-N-propyloxamide
CID 2291438
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9289313
ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate
CID 172776979
N-(2-hydroxyethyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508767
N-butyl-N'-(4-carbamoylphenyl)oxamide
CID 7584966
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 30127290
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
2-[(4-carbamothioylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61452669
N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide
CID 108508773
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508799
(2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide
CID 107143973
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide?
The IUPAC name of N'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide (CID 53437757) is N'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide.
What is the SMILES notation for N'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide?
The canonical SMILES for N'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide is CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C(=O)C(N)=O)cc1.
What is the InChIKey of N'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide?
The InChIKey is OVNJTLQSPKKQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O6S/c1-3-8-16-12(20)13(21)17-9-4-6-10(7-5-9)25(23,24)18(2)14(22)11(15)19/h4-7H,3,8H2,1-2H3,(H2,15,19)(H,16,20)(H,17,21).
What are the key properties of N'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide?
N'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide has a molecular weight of 370.39 g/mol, XLogP of -1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide is sourced from PubChem (CID 53437757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).