propan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate

C18H20N4O4S — CID 159573820

IUPACpropan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
SMILESCC(C)OC(=O)Nc1cnc2[nH]cc(-c3cccc(NS(C)(=O)=O)c3)c2c1
InChIInChI=1S/C18H20N4O4S/c1-11(2)26-18(23)21-14-8-15-16(10-20-17(15)19-9-14)12-5-4-6-13(7-12)22-27(3,24)25/h4-11,22H,1-3H3,(H,19,20)(H,21,23)
InChIKeyUOFQZEMEAYISLQ-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.56
Rot. Bonds5

About propan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate

propan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate (PubChem CID 159573820) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is propan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
PubChem CID159573820
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Namepropan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
SMILESCC(C)OC(=O)Nc1cnc2[nH]cc(-c3cccc(NS(C)(=O)=O)c3)c2c1
InChIInChI=1S/C18H20N4O4S/c1-11(2)26-18(23)21-14-8-15-16(10-20-17(15)19-9-14)12-5-4-6-13(7-12)22-27(3,24)25/h4-11,22H,1-3H3,(H,19,20)(H,21,23)
InChIKeyUOFQZEMEAYISLQ-UHFFFAOYSA-N
XLogP3.56
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 52947519
N-[3-[5-(benzylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-3-methyl-2-oxopentanamide
CID 134445691
N-[3-[3-(5-fluoro-2-methylbenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 11339236
N-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 11189486
N-[4-[3-[3-(2-aminoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 68779075
N-[3-[7-(3-propan-2-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide
CID 122608910
[2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid
CID 141144442
N-[3-[3-[3-(difluoromethoxy)-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 58086333
N-[2-fluoro-4-iodo-3-[5-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]methanesulfonamide
CID 70808942
N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;silver
CID 131739517
N-[3-[3-(2,6-difluoro-3-methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 58087697
N-[3-[5-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyridine-3-sulfonamide
CID 66646848

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate?
The IUPAC name of propan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate (CID 159573820) is propan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate?
The canonical SMILES for propan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate is CC(C)OC(=O)Nc1cnc2[nH]cc(-c3cccc(NS(C)(=O)=O)c3)c2c1.
What is the InChIKey of propan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate?
The InChIKey is UOFQZEMEAYISLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-11(2)26-18(23)21-14-8-15-16(10-20-17(15)19-9-14)12-5-4-6-13(7-12)22-27(3,24)25/h4-11,22H,1-3H3,(H,19,20)(H,21,23).
What are the key properties of propan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate?
propan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate has a molecular weight of 388.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate is sourced from PubChem (CID 159573820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).