N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide

C22H24N4O3S — CID 112830987

IUPACN-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)Nc2cccnc2N(C)C)c1)c1ccccc1
InChIInChI=1S/C22H24N4O3S/c1-16(17-9-5-4-6-10-17)25-30(28,29)19-12-7-11-18(15-19)22(27)24-20-13-8-14-23-21(20)26(2)3/h4-16,25H,1-3H3,(H,24,27)
InChIKeyKQDBCIOUPIVTGW-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.44
Rot. Bonds7

About N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide

N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide (PubChem CID 112830987) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide
PubChem CID112830987
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)Nc2cccnc2N(C)C)c1)c1ccccc1
InChIInChI=1S/C22H24N4O3S/c1-16(17-9-5-4-6-10-17)25-30(28,29)19-12-7-11-18(15-19)22(27)24-20-13-8-14-23-21(20)26(2)3/h4-16,25H,1-3H3,(H,24,27)
InChIKeyKQDBCIOUPIVTGW-UHFFFAOYSA-N
XLogP3.44
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064636
N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064640
3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide
CID 78887682
3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31309454
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 109064219
N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 26010937
3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 35035772
N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride
CID 119501867
N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 47234684
N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46689087
N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide (CID 112830987) is N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide is CC(NS(=O)(=O)c1cccc(C(=O)Nc2cccnc2N(C)C)c1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide?
The InChIKey is KQDBCIOUPIVTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-16(17-9-5-4-6-10-17)25-30(28,29)19-12-7-11-18(15-19)22(27)24-20-13-8-14-23-21(20)26(2)3/h4-16,25H,1-3H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide?
N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide has a molecular weight of 424.53 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide is sourced from PubChem (CID 112830987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).