N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide

C15H22N2O3S — CID 110788593

IUPACN-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C15H22N2O3S/c1-3-4-9-21(19,20)16-8-7-12-5-6-14-13(10-12)11-15(18)17(14)2/h5-6,10,16H,3-4,7-9,11H2,1-2H3
InChIKeyRWWDAMOBICVDSV-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.47
Rot. Bonds7

About N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide

N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide (PubChem CID 110788593) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide
PubChem CID110788593
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C15H22N2O3S/c1-3-4-9-21(19,20)16-8-7-12-5-6-14-13(10-12)11-15(18)17(14)2/h5-6,10,16H,3-4,7-9,11H2,1-2H3
InChIKeyRWWDAMOBICVDSV-UHFFFAOYSA-N
XLogP1.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
1-methyl-5-[2-(2-sulfanylethylamino)ethyl]-3H-indol-2-one
CID 115224218
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide
CID 110788676
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
4-(1-methyl-2-oxo-3H-indol-5-yl)butanenitrile
CID 82471108
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid
CID 115141454
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
CID 115260099
5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one
CID 115225243
1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115206096
methyl 4-(1-methyl-2-oxo-3H-indol-5-yl)butanoate
CID 82350338
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide (CID 110788593) is N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide?
The InChIKey is RWWDAMOBICVDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-4-9-21(19,20)16-8-7-12-5-6-14-13(10-12)11-15(18)17(14)2/h5-6,10,16H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide?
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 110788593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).