2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide

C19H22N4O3S — CID 53164078

IUPAC2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide
SMILESCC(C)n1nc(CNC(=O)CNS(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H22N4O3S/c1-14(2)23-18-11-7-6-10-16(18)17(22-23)12-20-19(24)13-21-27(25,26)15-8-4-3-5-9-15/h3-11,14,21H,12-13H2,1-2H3,(H,20,24)
InChIKeyXZRFOKHGKXLBBV-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.21
Rot. Bonds7

About 2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide

2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide (PubChem CID 53164078) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide
PubChem CID53164078
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide
SMILESCC(C)n1nc(CNC(=O)CNS(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H22N4O3S/c1-14(2)23-18-11-7-6-10-16(18)17(22-23)12-20-19(24)13-21-27(25,26)15-8-4-3-5-9-15/h3-11,14,21H,12-13H2,1-2H3,(H,20,24)
InChIKeyXZRFOKHGKXLBBV-UHFFFAOYSA-N
XLogP2.21
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide
CID 53164094
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
N-[(1-methylindazol-3-yl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 53163959
3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid
CID 66166438
2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 110446210
2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993012
2-(benzenesulfonamido)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499250
N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 5053878
2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid
CID 61458090
N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
CID 91841182
2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide
CID 9236234

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide (CID 53164078) is 2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide is CC(C)n1nc(CNC(=O)CNS(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide?
The InChIKey is XZRFOKHGKXLBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-14(2)23-18-11-7-6-10-16(18)17(22-23)12-20-19(24)13-21-27(25,26)15-8-4-3-5-9-15/h3-11,14,21H,12-13H2,1-2H3,(H,20,24).
What are the key properties of 2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide?
2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide has a molecular weight of 386.48 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide is sourced from PubChem (CID 53164078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).