2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide

C14H17N3O2S — CID 158705289

IUPAC2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide
SMILESCCSCc1ccc2c(C(N)=O)c(CC(N)=O)[nH]c2c1
InChIInChI=1S/C14H17N3O2S/c1-2-20-7-8-3-4-9-10(5-8)17-11(6-12(15)18)13(9)14(16)19/h3-5,17H,2,6-7H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyIIAPNOINLUKXIM-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.55
Rot. Bonds6

About 2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide

2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide (PubChem CID 158705289) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide
PubChem CID158705289
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide
SMILESCCSCc1ccc2c(C(N)=O)c(CC(N)=O)[nH]c2c1
InChIInChI=1S/C14H17N3O2S/c1-2-20-7-8-3-4-9-10(5-8)17-11(6-12(15)18)13(9)14(16)19/h3-5,17H,2,6-7H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyIIAPNOINLUKXIM-UHFFFAOYSA-N
XLogP1.55
TPSA101.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide
CID 161113640
2-(2-amino-2-oxoethyl)-6-[4-(3-methoxyphenyl)butanoyl]-1H-indole-3-carboxamide
CID 157118543
2-(2-amino-2-oxoethyl)-4-hydroxy-1H-indole-3-carboxamide
CID 58280297
2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide
CID 90480442
2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide
CID 59189868
2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide
CID 90480445
4-(ethylsulfanylmethyl)-2-fluorobenzoic acid
CID 106698577
5-[4-(hydroxymethyl)phenyl]-2-methyl-1H-indole-3-carboxamide
CID 173470297
2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide
CID 162663759
2-(2,3-dimethyl-1H-indol-6-yl)acetic acid
CID 82396921
2-(2-methyl-1H-indol-6-yl)acetamide
CID 70411340
2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide
CID 143751490

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide (CID 158705289) is 2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide is CCSCc1ccc2c(C(N)=O)c(CC(N)=O)[nH]c2c1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide?
The InChIKey is IIAPNOINLUKXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-20-7-8-3-4-9-10(5-8)17-11(6-12(15)18)13(9)14(16)19/h3-5,17H,2,6-7H2,1H3,(H2,15,18)(H2,16,19).
What are the key properties of 2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide?
2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)-6-(ethylsulfanylmethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 158705289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).