N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide

C17H20N2O3S2 — CID 110348178

IUPACN-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C17H20N2O3S2/c1-3-14-8-9-16(23-14)24(21,22)18-12(2)17(20)19-11-10-13-6-4-5-7-15(13)19/h4-9,12,18H,3,10-11H2,1-2H3/t12-/m0/s1
InChIKeyPBWGKIYPRSKRDP-LBPRGKRZSA-N
MW364.49 g/mol
LogP2.57
Rot. Bonds5

About N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide

N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide (PubChem CID 110348178) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide
PubChem CID110348178
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C17H20N2O3S2/c1-3-14-8-9-16(23-14)24(21,22)18-12(2)17(20)19-11-10-13-6-4-5-7-15(13)19/h4-9,12,18H,3,10-11H2,1-2H3/t12-/m0/s1
InChIKeyPBWGKIYPRSKRDP-LBPRGKRZSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide
CID 110358472
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide
CID 110348158
(2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide
CID 100717934
1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 75357606
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 110351772
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide
CID 110348973
5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide
CID 110351436

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide (CID 110348178) is N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCc3ccccc32)s1.
What is the InChIKey of N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is PBWGKIYPRSKRDP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-3-14-8-9-16(23-14)24(21,22)18-12(2)17(20)19-11-10-13-6-4-5-7-15(13)19/h4-9,12,18H,3,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide?
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 364.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 110348178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).