N-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide

C19H23N3O2S — CID 118211104

IUPACN-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc(Cc2cnc3[nH]ccc3c2NS(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H23N3O2S/c1-19(2,3)25(23)22-17-14(12-21-18-16(17)9-10-20-18)11-13-5-7-15(24-4)8-6-13/h5-10,12H,11H2,1-4H3,(H2,20,21,22)
InChIKeyDNQAHEZBOOESGZ-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.04
Rot. Bonds5

About N-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide

N-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 118211104) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID118211104
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc(Cc2cnc3[nH]ccc3c2NS(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H23N3O2S/c1-19(2,3)25(23)22-17-14(12-21-18-16(17)9-10-20-18)11-13-5-7-15(24-4)8-6-13/h5-10,12H,11H2,1-4H3,(H2,20,21,22)
InChIKeyDNQAHEZBOOESGZ-UHFFFAOYSA-N
XLogP4.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole
CID 142774486
3-cyclohexyl-4-[(4-methoxyphenyl)methyl]-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 156786336
2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole
CID 122363305
4-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155757135
4-[[(2S,4S)-1-[(4-methoxyphenyl)methyl]-2-methylpiperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 164818350
4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 66827127
5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 86705634
N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 170200023
5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 25027180
5-chloro-3-[[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442231
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
3-[2-(4-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 19005036

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide (CID 118211104) is N-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide is COc1ccc(Cc2cnc3[nH]ccc3c2NS(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is DNQAHEZBOOESGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-19(2,3)25(23)22-17-14(12-21-18-16(17)9-10-20-18)11-13-5-7-15(24-4)8-6-13/h5-10,12H,11H2,1-4H3,(H2,20,21,22).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide?
N-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 357.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118211104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).