N-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide

C23H32N2O7S2 — CID 3871785

IUPACN-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(Cc2cccc(OC)c2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C23H32N2O7S2/c1-6-15-24(16-7-2)34(29,30)20-13-11-18(12-14-20)23(26)25(33(5,27)28)17-19-9-8-10-21(31-3)22(19)32-4/h8-14H,6-7,15-17H2,1-5H3
InChIKeyLNQPRCUXKAYRRL-UHFFFAOYSA-N
MW512.65 g/mol
LogP3.12
Rot. Bonds12

About N-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide

N-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide (PubChem CID 3871785) has the molecular formula C23H32N2O7S2 and a molecular weight of 512.65 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide
PubChem CID3871785
Molecular FormulaC23H32N2O7S2
Molecular Weight512.65 g/mol
Exact Mass512.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(Cc2cccc(OC)c2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C23H32N2O7S2/c1-6-15-24(16-7-2)34(29,30)20-13-11-18(12-14-20)23(26)25(33(5,27)28)17-19-9-8-10-21(31-3)22(19)32-4/h8-14H,6-7,15-17H2,1-5H3
InChIKeyLNQPRCUXKAYRRL-UHFFFAOYSA-N
XLogP3.12
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.65
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide
CID 3684406
N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide
CID 119581442
N,N-dipropylbenzenesulfonamide
CID 4053954
N-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide
CID 3796512
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 30329873
2-[benzenesulfonyl(ethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45372043
4-propanoyl-N,N-dipropylbenzenesulfonamide
CID 70641695
(2,3-dimethoxyphenyl)methanesulfonic acid
CID 174487670
N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine
CID 2845586
N-[4-(dipropylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)propanamide
CID 4943258
N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
CID 55344716

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide (CID 3871785) is N-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(Cc2cccc(OC)c2OC)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide?
The InChIKey is LNQPRCUXKAYRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O7S2/c1-6-15-24(16-7-2)34(29,30)20-13-11-18(12-14-20)23(26)25(33(5,27)28)17-19-9-8-10-21(31-3)22(19)32-4/h8-14H,6-7,15-17H2,1-5H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide?
N-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide has a molecular weight of 512.65 g/mol, XLogP of 3.12, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide is sourced from PubChem (CID 3871785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).