N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide

C22H24N4O4S — CID 30295696

IUPACN-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N(C)C)nc3)ccc2C)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-5-6-16(22(27)24-18-9-12-21(23-14-18)26(2)3)13-20(15)31(28,29)25-17-7-10-19(30-4)11-8-17/h5-14,25H,1-4H3,(H,24,27)
InChIKeyQUVDYHMIBCKWPI-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.52
Rot. Bonds7

About N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide

N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 30295696) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID30295696
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N(C)C)nc3)ccc2C)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-5-6-16(22(27)24-18-9-12-21(23-14-18)26(2)3)13-20(15)31(28,29)25-17-7-10-19(30-4)11-8-17/h5-14,25H,1-4H3,(H,24,27)
InChIKeyQUVDYHMIBCKWPI-UHFFFAOYSA-N
XLogP3.52
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(dimethylamino)-3-pyridinyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295673
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30295727
6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide
CID 26642328
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 55370357
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 30451320
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257
N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 9413965
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126415722
N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 55979786
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide (CID 30295696) is N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N(C)C)nc3)ccc2C)cc1.
What is the InChIKey of N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is QUVDYHMIBCKWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-15-5-6-16(22(27)24-18-9-12-21(23-14-18)26(2)3)13-20(15)31(28,29)25-17-7-10-19(30-4)11-8-17/h5-14,25H,1-4H3,(H,24,27).
What are the key properties of N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 440.53 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 30295696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).