N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide

C22H19N3O3S — CID 117074121

IUPACN-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19N3O3S/c1-15-3-9-19(10-4-15)29(27,28)25-14-12-21-20(11-13-23-22(21)25)17-5-7-18(8-6-17)24-16(2)26/h3-14H,1-2H3,(H,24,26)
InChIKeySXXFGXBCGKXEMZ-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.21
Rot. Bonds4

About N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide

N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide (PubChem CID 117074121) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
PubChem CID117074121
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19N3O3S/c1-15-3-9-19(10-4-15)29(27,28)25-14-12-21-20(11-13-23-22(21)25)17-5-7-18(8-6-17)24-16(2)26/h3-14H,1-2H3,(H,24,26)
InChIKeySXXFGXBCGKXEMZ-UHFFFAOYSA-N
XLogP4.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]benzoic acid
CID 58896785
1-[4-[2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-1,3-oxazol-4-yl]phenyl]-3-phenylurea
CID 68997056
1-ethyl-3-[4-[2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-4-yl]phenyl]urea
CID 68995209
tert-butyl N-[(2R,3R)-1-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]anilino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 165404824
(2R)-N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]phenyl]-2-(cyclopropylmethylamino)-4-methylpentanamide
CID 165404778
ethyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-4-carboxylate
CID 135319162
tert-butyl N-[(2R)-1-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]anilino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
CID 165404855
4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 175407920
[4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol
CID 68791607
1-[6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]cyclopropane-1-carbonitrile
CID 58896995
6,7-dimethyl-N-[1-methyl-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]indazol-4-yl]-4,5-dihydrothiepine-3-carboxamide
CID 123203392
N-[3-(8-fluoro-4-pyridin-3-ylquinolin-6-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]acetamide
CID 135145512

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide (CID 117074121) is N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?
The InChIKey is SXXFGXBCGKXEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-15-3-9-19(10-4-15)29(27,28)25-14-12-21-20(11-13-23-22(21)25)17-5-7-18(8-6-17)24-16(2)26/h3-14H,1-2H3,(H,24,26).
What are the key properties of N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?
N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide has a molecular weight of 405.48 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide is sourced from PubChem (CID 117074121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).