4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

C21H28N2O4S2 — CID 55507704

IUPAC4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(Cc2cccs2)CC2CCCO2)cc1
InChIInChI=1S/C21H28N2O4S2/c1-16(2)22(3)29(25,26)20-10-8-17(9-11-20)21(24)23(14-18-6-4-12-27-18)15-19-7-5-13-28-19/h5,7-11,13,16,18H,4,6,12,14-15H2,1-3H3
InChIKeyLIGREMYDUQXFJW-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.60
Rot. Bonds8

About 4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 55507704) has the molecular formula C21H28N2O4S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID55507704
Molecular FormulaC21H28N2O4S2
Molecular Weight436.60 g/mol
Exact Mass436.15
IUPAC Name4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(Cc2cccs2)CC2CCCO2)cc1
InChIInChI=1S/C21H28N2O4S2/c1-16(2)22(3)29(25,26)20-10-8-17(9-11-20)21(24)23(14-18-6-4-12-27-18)15-19-7-5-13-28-19/h5,7-11,13,16,18H,4,6,12,14-15H2,1-3H3
InChIKeyLIGREMYDUQXFJW-UHFFFAOYSA-N
XLogP3.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197
4-(difluoromethylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55520684
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
4-(1,3-dithian-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78810036
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 55389257
3,4-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60601065
4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 6971383
4-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1154153
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 95287975
3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869247
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 116676200

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 55507704) is 4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(Cc2cccs2)CC2CCCO2)cc1.
What is the InChIKey of 4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is LIGREMYDUQXFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S2/c1-16(2)22(3)29(25,26)20-10-8-17(9-11-20)21(24)23(14-18-6-4-12-27-18)15-19-7-5-13-28-19/h5,7-11,13,16,18H,4,6,12,14-15H2,1-3H3.
What are the key properties of 4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 436.60 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 55507704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).