N-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide

C21H29N3O7S2 — CID 3796512

IUPACN-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(c2ccc(OC)nc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C21H29N3O7S2/c1-6-14-23(15-7-2)33(28,29)17-10-8-16(9-11-17)21(25)24(32(5,26)27)18-12-13-19(30-3)22-20(18)31-4/h8-13H,6-7,14-15H2,1-5H3
InChIKeyCJSGGROQVUMPGH-UHFFFAOYSA-N
MW499.61 g/mol
LogP2.52
Rot. Bonds11

About N-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide

N-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide (PubChem CID 3796512) has the molecular formula C21H29N3O7S2 and a molecular weight of 499.61 g/mol. Its IUPAC name is N-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide
PubChem CID3796512
Molecular FormulaC21H29N3O7S2
Molecular Weight499.61 g/mol
Exact Mass499.14
IUPAC NameN-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(c2ccc(OC)nc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C21H29N3O7S2/c1-6-14-23(15-7-2)33(28,29)17-10-8-16(9-11-17)21(25)24(32(5,26)27)18-12-13-19(30-3)22-20(18)31-4/h8-13H,6-7,14-15H2,1-5H3
InChIKeyCJSGGROQVUMPGH-UHFFFAOYSA-N
XLogP2.52
TPSA123.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-iodo-N-methylsulfonylbenzamide
CID 3710385
4-propanoyl-N,N-dipropylbenzenesulfonamide
CID 70641695
N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide
CID 119581442
N-[(2,3-dimethoxyphenyl)methyl]-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide
CID 3871785
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(dipropylsulfamoyl)benzamide
CID 43959152
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 54233472
acridine;4-(dipropylsulfamoyl)benzoic acid
CID 139187519
6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid
CID 166922498
N-(cyanomethyl)-4-methoxy-N-propylbenzenesulfonamide
CID 61225483
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 44949381

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide?
The IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide (CID 3796512) is N-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide.
What is the SMILES notation for N-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide?
The canonical SMILES for N-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(c2ccc(OC)nc2OC)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide?
The InChIKey is CJSGGROQVUMPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O7S2/c1-6-14-23(15-7-2)33(28,29)17-10-8-16(9-11-17)21(25)24(32(5,26)27)18-12-13-19(30-3)22-20(18)31-4/h8-13H,6-7,14-15H2,1-5H3.
What are the key properties of N-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide?
N-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide has a molecular weight of 499.61 g/mol, XLogP of 2.52, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxy-3-pyridinyl)-4-(dipropylsulfamoyl)-N-methylsulfonylbenzamide is sourced from PubChem (CID 3796512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).