N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide

C9H19N3O4S — CID 135037692

IUPACN-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide
SMILESCCNC(=O)CCCS(=O)(=O)NC(=O)CNC
InChIInChI=1S/C9H19N3O4S/c1-3-11-8(13)5-4-6-17(15,16)12-9(14)7-10-2/h10H,3-7H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyNQCJJDQMYIQMSI-UHFFFAOYSA-N
MW265.33 g/mol
LogP-1.43
Rot. Bonds8

About N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide

N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide (PubChem CID 135037692) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide
PubChem CID135037692
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC NameN-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide
SMILESCCNC(=O)CCCS(=O)(=O)NC(=O)CNC
InChIInChI=1S/C9H19N3O4S/c1-3-11-8(13)5-4-6-17(15,16)12-9(14)7-10-2/h10H,3-7H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyNQCJJDQMYIQMSI-UHFFFAOYSA-N
XLogP-1.43
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Alz-801
CID 25008296
(2s)-2-(Acetylamino)-N-Methyl-4-[(R)-Methylsulfinyl]butanamide
CID 44228992
N-(2-methylpropyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]-methylsulfonylamino]acetamide
CID 40067441
4-Butylsulfonylpiperazin-2-one
CID 47371379
(2s)-2-(Acetylamino)-N-Methyl-4-[(S)-Methylsulfinyl]butanamide
CID 24178118
N-ethyl-4-sulfamoylbutanamide
CID 23588047
(2S)-N-cyclohexyl-2-[2-(methylsulfamoyl)ethylamino]butanamide
CID 95144032
2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide
CID 89301025
4-(acetylsulfamoyl)-N-ethylbutanamide
CID 138964116
4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide
CID 138964149
N-(3-amino-2,2-difluoropropyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 120409262
5-Oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168713685

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide?
The IUPAC name of N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide (CID 135037692) is N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide.
What is the SMILES notation for N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide?
The canonical SMILES for N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide is CCNC(=O)CCCS(=O)(=O)NC(=O)CNC.
What is the InChIKey of N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide?
The InChIKey is NQCJJDQMYIQMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-3-11-8(13)5-4-6-17(15,16)12-9(14)7-10-2/h10H,3-7H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide?
N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide has a molecular weight of 265.33 g/mol, XLogP of -1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide is sourced from PubChem (CID 135037692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).