N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide

C12H20N4O3S — CID 61456490

IUPACN-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)N(C)CCCN)c1
InChIInChI=1S/C12H20N4O3S/c1-10(17)14-11-5-3-6-12(9-11)15-20(18,19)16(2)8-4-7-13/h3,5-6,9,15H,4,7-8,13H2,1-2H3,(H,14,17)
InChIKeyNJRSSPOQOSWOTH-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.58
Rot. Bonds7

About N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide

N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide (PubChem CID 61456490) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide
PubChem CID61456490
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)N(C)CCCN)c1
InChIInChI=1S/C12H20N4O3S/c1-10(17)14-11-5-3-6-12(9-11)15-20(18,19)16(2)8-4-7-13/h3,5-6,9,15H,4,7-8,13H2,1-2H3,(H,14,17)
InChIKeyNJRSSPOQOSWOTH-UHFFFAOYSA-N
XLogP0.58
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide
CID 61456491
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene
CID 54952240
1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene
CID 54898316
3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline
CID 62782128
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene
CID 106003250
3-[[2-carboxyethyl(methyl)sulfamoyl]amino]benzoic acid
CID 84760738
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene
CID 114261612
N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide
CID 43316047
2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid
CID 61058722
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
CID 106007389
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide
CID 26952572

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide (CID 61456490) is N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)N(C)CCCN)c1.
What is the InChIKey of N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide?
The InChIKey is NJRSSPOQOSWOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-10(17)14-11-5-3-6-12(9-11)15-20(18,19)16(2)8-4-7-13/h3,5-6,9,15H,4,7-8,13H2,1-2H3,(H,14,17).
What are the key properties of N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide?
N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide has a molecular weight of 300.38 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide is sourced from PubChem (CID 61456490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).