N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide

C21H26N2O4S — CID 7202655

IUPACN-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-15-6-7-16(2)20(13-15)22-21(24)17-8-10-19(11-9-17)28(25,26)23(3)14-18-5-4-12-27-18/h6-11,13,18H,4-5,12,14H2,1-3H3,(H,22,24)/t18-/m1/s1
InChIKeyNYZVRCDQLKXFQI-GOSISDBHSA-N
MW402.52 g/mol
LogP3.36
Rot. Bonds6

About N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide

N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide (PubChem CID 7202655) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide
PubChem CID7202655
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-15-6-7-16(2)20(13-15)22-21(24)17-8-10-19(11-9-17)28(25,26)23(3)14-18-5-4-12-27-18/h6-11,13,18H,4-5,12,14H2,1-3H3,(H,22,24)/t18-/m1/s1
InChIKeyNYZVRCDQLKXFQI-GOSISDBHSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 43947187
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 18560849
N-(1-benzothiophen-5-yl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 18560873
N-(2,4-dimethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428381
methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 16833627
4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 41139913
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18560848
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 18560940
N-(6-chloro-1,3-benzothiazol-2-yl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 43937109
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 43937113
4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 97109915
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide (CID 7202655) is N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide is Cc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide?
The InChIKey is NYZVRCDQLKXFQI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-6-7-16(2)20(13-15)22-21(24)17-8-10-19(11-9-17)28(25,26)23(3)14-18-5-4-12-27-18/h6-11,13,18H,4-5,12,14H2,1-3H3,(H,22,24)/t18-/m1/s1.
What are the key properties of N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide?
N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide is sourced from PubChem (CID 7202655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).