N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide

C21H26N2O6S — CID 24667240

IUPACN-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)NCC2CC2)cc1
InChIInChI=1S/C21H26N2O6S/c1-4-29-15-7-9-16(10-8-15)30(25,26)23-18-12-20(28-3)19(27-2)11-17(18)21(24)22-13-14-5-6-14/h7-12,14,23H,4-6,13H2,1-3H3,(H,22,24)
InChIKeyFGZMXRDKDLERIO-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.04
Rot. Bonds10

About N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide

N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide (PubChem CID 24667240) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide
PubChem CID24667240
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC NameN-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)NCC2CC2)cc1
InChIInChI=1S/C21H26N2O6S/c1-4-29-15-7-9-16(10-8-15)30(25,26)23-18-12-20(28-3)19(27-2)11-17(18)21(24)22-13-14-5-6-14/h7-12,14,23H,4-6,13H2,1-3H3,(H,22,24)
InChIKeyFGZMXRDKDLERIO-UHFFFAOYSA-N
XLogP3.04
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 26549903
N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 55544298
2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 24672755
N-(4-chloro-2-methoxyphenyl)-4-ethoxybenzenesulfonamide
CID 155537500
2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1327378
N-(cyclopropylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 43047280
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
methyl 2-[(4-iodophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 3486727
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2083250
2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108575198
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide (CID 24667240) is N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide is CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)NCC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide?
The InChIKey is FGZMXRDKDLERIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-4-29-15-7-9-16(10-8-15)30(25,26)23-18-12-20(28-3)19(27-2)11-17(18)21(24)22-13-14-5-6-14/h7-12,14,23H,4-6,13H2,1-3H3,(H,22,24).
What are the key properties of N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide?
N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide has a molecular weight of 434.51 g/mol, XLogP of 3.04, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide is sourced from PubChem (CID 24667240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).