N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide

C20H22N2O4S — CID 51524960

IUPACN-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4S/c1-3-15-9-10-18-17(13-15)19(21-14(2)23)20(24)22(18)11-12-27(25,26)16-7-5-4-6-8-16/h4-10,13,19H,3,11-12H2,1-2H3,(H,21,23)/t19-/m0/s1
InChIKeyQKINEHKRWWBTPR-IBGZPJMESA-N
MW386.47 g/mol
LogP2.25
Rot. Bonds6

About N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 51524960) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID51524960
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4S/c1-3-15-9-10-18-17(13-15)19(21-14(2)23)20(24)22(18)11-12-27(25,26)16-7-5-4-6-8-16/h4-10,13,19H,3,11-12H2,1-2H3,(H,21,23)/t19-/m0/s1
InChIKeyQKINEHKRWWBTPR-IBGZPJMESA-N
XLogP2.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178813
N-[(3S)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942909
N-[(3R)-5-fluoro-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 7677929
N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 7707518
N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide
CID 2711857
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide
CID 9178801
N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178835
N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178903
N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178324
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221
N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178851

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide (CID 51524960) is N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide is CCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2CCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is QKINEHKRWWBTPR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-3-15-9-10-18-17(13-15)19(21-14(2)23)20(24)22(18)11-12-27(25,26)16-7-5-4-6-8-16/h4-10,13,19H,3,11-12H2,1-2H3,(H,21,23)/t19-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 386.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 51524960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).