N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide

C19H19N3O3S — CID 90928809

IUPACN-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide
SMILESCOc1ccc2c(CCC#N)c(-c3ccc(NS(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C19H19N3O3S/c1-25-15-9-10-16-17(4-3-11-20)19(21-18(16)12-15)13-5-7-14(8-6-13)22-26(2,23)24/h5-10,12,21-22H,3-4H2,1-2H3
InChIKeyDGUFMQBNJBPNJA-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.67
Rot. Bonds6

About N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide

N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide (PubChem CID 90928809) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide
PubChem CID90928809
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide
SMILESCOc1ccc2c(CCC#N)c(-c3ccc(NS(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C19H19N3O3S/c1-25-15-9-10-16-17(4-3-11-20)19(21-18(16)12-15)13-5-7-14(8-6-13)22-26(2,23)24/h5-10,12,21-22H,3-4H2,1-2H3
InChIKeyDGUFMQBNJBPNJA-UHFFFAOYSA-N
XLogP3.67
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide
CID 90925791
ethyl N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]carbamate
CID 91482312
2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile
CID 86703304
N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide
CID 58694414
3-(6-methoxy-1H-indol-3-yl)propanenitrile
CID 82491461
2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol
CID 50923036
ethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate
CID 90995148
3-(6-fluoro-2-methyl-1H-indol-3-yl)propanenitrile
CID 82491568
N-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide
CID 171751993
3-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]propanenitrile
CID 84640649
N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide
CID 24825401
3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781786

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide (CID 90928809) is N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide is COc1ccc2c(CCC#N)c(-c3ccc(NS(C)(=O)=O)cc3)[nH]c2c1.
What is the InChIKey of N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide?
The InChIKey is DGUFMQBNJBPNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-25-15-9-10-16-17(4-3-11-20)19(21-18(16)12-15)13-5-7-14(8-6-13)22-26(2,23)24/h5-10,12,21-22H,3-4H2,1-2H3.
What are the key properties of N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide?
N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 90928809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).