N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide

C26H28N4O4S — CID 59425807

IUPACN-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCOCC4)cc3n2C2CCC2)cc1
InChIInChI=1S/C26H28N4O4S/c1-2-35(32,33)28-20-9-6-18(7-10-20)25-23(17-27)22-11-8-19(26(31)29-12-14-34-15-13-29)16-24(22)30(25)21-4-3-5-21/h6-11,16,21,28H,2-5,12-15H2,1H3
InChIKeyRCTSJQMJNZWUIO-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.14
Rot. Bonds6

About N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide

N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide (PubChem CID 59425807) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide
PubChem CID59425807
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC NameN-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCOCC4)cc3n2C2CCC2)cc1
InChIInChI=1S/C26H28N4O4S/c1-2-35(32,33)28-20-9-6-18(7-10-20)25-23(17-27)22-11-8-19(26(31)29-12-14-34-15-13-29)16-24(22)30(25)21-4-3-5-21/h6-11,16,21,28H,2-5,12-15H2,1H3
InChIKeyRCTSJQMJNZWUIO-UHFFFAOYSA-N
XLogP4.14
TPSA104.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide
CID 59424983
propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methylpiperazine-1-carbonyl)indol-2-yl]phenyl]carbamate
CID 59424965
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide
CID 25051841
N-[4-[3-amino-1-cyclobutyl-6-(4-methylpiperazine-1-carbonyl)indol-2-yl]phenyl]cyclopropanesulfonamide
CID 70859398
[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamic acid;ethylcyclopropane
CID 143511119
N-[4-[3-cyano-1-cyclobutyl-6-[(2S)-2,3-dihydroxypropoxy]indol-2-yl]phenyl]propane-1-sulfonamide
CID 59426319
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 59425775
3-cyano-N-(cyclopropylmethyl)-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
CID 59426164
1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile
CID 59425953
propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate
CID 59425147
[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate
CID 59425627
1-[4-[3-cyano-1-cyclobutyl-6-(4-morpholin-4-ylbutyl)indol-2-yl]phenyl]-3-propan-2-ylurea
CID 70798051

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide (CID 59425807) is N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCOCC4)cc3n2C2CCC2)cc1.
What is the InChIKey of N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide?
The InChIKey is RCTSJQMJNZWUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-2-35(32,33)28-20-9-6-18(7-10-20)25-23(17-27)22-11-8-19(26(31)29-12-14-34-15-13-29)16-24(22)30(25)21-4-3-5-21/h6-11,16,21,28H,2-5,12-15H2,1H3.
What are the key properties of N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide?
N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide has a molecular weight of 492.60 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 59425807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).