2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide

C17H19N3O4S — CID 5073873

IUPAC2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
SMILESO=C(CNC(=O)CNS(=O)(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H19N3O4S/c21-16(18-11-14-7-3-1-4-8-14)12-19-17(22)13-20-25(23,24)15-9-5-2-6-10-15/h1-10,20H,11-13H2,(H,18,21)(H,19,22)
InChIKeyAVYGCOXYBLSWHT-UHFFFAOYSA-N
MW361.42 g/mol
LogP0.40
Rot. Bonds8

About 2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide

2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide (PubChem CID 5073873) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
PubChem CID5073873
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
SMILESO=C(CNC(=O)CNS(=O)(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H19N3O4S/c21-16(18-11-14-7-3-1-4-8-14)12-19-17(22)13-20-25(23,24)15-9-5-2-6-10-15/h1-10,20H,11-13H2,(H,18,21)(H,19,22)
InChIKeyAVYGCOXYBLSWHT-UHFFFAOYSA-N
XLogP0.40
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide
CID 166212100
2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 110446210
N-[(3-chlorophenyl)methyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9209869
[amino-[4-[[2-[[4-[amino(azaniumylidene)methyl]phenyl]methylamino]-2-oxoethyl]sulfamoyl]phenyl]methylidene]azanium
CID 91929600
2-(benzenesulfonamido)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499250
N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
CID 6621397
N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 8713182
3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid
CID 66166438
N-benzyl-2-(carbamothioylamino)acetamide
CID 86103801
2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid
CID 61458090
N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 6624557

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide (CID 5073873) is 2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide is O=C(CNC(=O)CNS(=O)(=O)c1ccccc1)NCc1ccccc1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide?
The InChIKey is AVYGCOXYBLSWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-16(18-11-14-7-3-1-4-8-14)12-19-17(22)13-20-25(23,24)15-9-5-2-6-10-15/h1-10,20H,11-13H2,(H,18,21)(H,19,22).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide?
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide has a molecular weight of 361.42 g/mol, XLogP of 0.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide is sourced from PubChem (CID 5073873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).