(2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide

C17H24N2O2S — CID 66856968

IUPAC(2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide
SMILESCc1cccc2[nH]cc(S[C@@H](CC(C)C)C(=O)NCCO)c12
InChIInChI=1S/C17H24N2O2S/c1-11(2)9-14(17(21)18-7-8-20)22-15-10-19-13-6-4-5-12(3)16(13)15/h4-6,10-11,14,19-20H,7-9H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKeyFTNIWEHRMFLJKE-AWEZNQCLSA-N
MW320.46 g/mol
LogP3.09
Rot. Bonds7

About (2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide

(2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide (PubChem CID 66856968) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is (2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide.

Molecular Properties

Compound Name(2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide
PubChem CID66856968
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name(2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide
SMILESCc1cccc2[nH]cc(S[C@@H](CC(C)C)C(=O)NCCO)c12
InChIInChI=1S/C17H24N2O2S/c1-11(2)9-14(17(21)18-7-8-20)22-15-10-19-13-6-4-5-12(3)16(13)15/h4-6,10-11,14,19-20H,7-9H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKeyFTNIWEHRMFLJKE-AWEZNQCLSA-N
XLogP3.09
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide?
The IUPAC name of (2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide (CID 66856968) is (2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide.
What is the SMILES notation for (2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide?
The canonical SMILES for (2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide is Cc1cccc2[nH]cc(S[C@@H](CC(C)C)C(=O)NCCO)c12.
What is the InChIKey of (2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide?
The InChIKey is FTNIWEHRMFLJKE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-11(2)9-14(17(21)18-7-8-20)22-15-10-19-13-6-4-5-12(3)16(13)15/h4-6,10-11,14,19-20H,7-9H2,1-3H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide?
(2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide has a molecular weight of 320.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide is sourced from PubChem (CID 66856968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).