N-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide

C24H28N2O4S2 — CID 90656082

IUPACN-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide
SMILESCC(C)CN(Cc1ccc(-c2ccc(S(C)(=O)=O)nc2)cc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C24H28N2O4S2/c1-19(2)16-26(32(29,30)18-21-7-5-4-6-8-21)17-20-9-11-22(12-10-20)23-13-14-24(25-15-23)31(3,27)28/h4-15,19H,16-18H2,1-3H3
InChIKeyOOFXHLLDMPOVCD-UHFFFAOYSA-N
MW472.63 g/mol
LogP4.14
Rot. Bonds9

About N-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide

N-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide (PubChem CID 90656082) has the molecular formula C24H28N2O4S2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide
PubChem CID90656082
Molecular FormulaC24H28N2O4S2
Molecular Weight472.63 g/mol
Exact Mass472.15
IUPAC NameN-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide
SMILESCC(C)CN(Cc1ccc(-c2ccc(S(C)(=O)=O)nc2)cc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C24H28N2O4S2/c1-19(2)16-26(32(29,30)18-21-7-5-4-6-8-21)17-20-9-11-22(12-10-20)23-13-14-24(25-15-23)31(3,27)28/h4-15,19H,16-18H2,1-3H3
InChIKeyOOFXHLLDMPOVCD-UHFFFAOYSA-N
XLogP4.14
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyridine
CID 9926659
3-(4-Methanesulfonyl-phenyl)-5-methyl-[2,3'']bipyridinyl
CID 9967049
Ethanesulfonic acid [3-(1-phenyl-ethyl)-phenyl]-pyridin-3-ylmethyl-amide
CID 10249222
(E)-5-(4-fluorostyryl)-2-(4-fluorophenylsulfonyl)pyridine
CID 21099448
5-(4-Fluorophenethyl)-2-(4-fluorophenylsulfonyl)pyridine
CID 21099514
2-[[4-(4-Chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methylsulfonyl]pyridine
CID 21963963
3-(4-Methanesulfonyl-phenyl)-[2,3'']bipyridinyl
CID 44326499
2-[(3,5-Dimethylphenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 4779999
4-[(5-Pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzonitrile
CID 7594024
4-[[6-[(4-Tert-butylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 7774872
4-[[5-(Azepan-1-ylsulfonyl)-2-pyridinyl]sulfanylmethyl]benzonitrile
CID 7778881
2-[(3-Methylphenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 9319331

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide (CID 90656082) is N-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide is CC(C)CN(Cc1ccc(-c2ccc(S(C)(=O)=O)nc2)cc1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is OOFXHLLDMPOVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S2/c1-19(2)16-26(32(29,30)18-21-7-5-4-6-8-21)17-20-9-11-22(12-10-20)23-13-14-24(25-15-23)31(3,27)28/h4-15,19H,16-18H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide?
N-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 472.63 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[[4-(6-methylsulfonyl-3-pyridinyl)phenyl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 90656082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).