(2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide

C20H23N3O2S — CID 119310528

IUPAC(2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H23N3O2S/c1-26-12-10-17(21)19(24)22-16-7-4-6-15(13-16)20(25)23-11-9-14-5-2-3-8-18(14)23/h2-8,13,17H,9-12,21H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyXHQCXFWCHQQVIZ-KRWDZBQOSA-N
MW369.49 g/mol
LogP2.91
Rot. Bonds6

About (2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide

(2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide (PubChem CID 119310528) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide
PubChem CID119310528
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name(2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H23N3O2S/c1-26-12-10-17(21)19(24)22-16-7-4-6-15(13-16)20(25)23-11-9-14-5-2-3-8-18(14)23/h2-8,13,17H,9-12,21H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyXHQCXFWCHQQVIZ-KRWDZBQOSA-N
XLogP2.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
(2S)-N-(3-acetylphenyl)-2-amino-4-methylsulfanylbutanamide;hydrochloride
CID 119262966
2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120790886
4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide
CID 120590924
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea
CID 60614369
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N,N-diethylbenzamide;hydrochloride
CID 119269046
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide
CID 104907128
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-methyl-N-phenylbenzamide;hydrochloride
CID 119284401
(2S)-2-amino-4-methylsulfanyl-N-[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]phenyl]butanamide
CID 86289001
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 60614335

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide (CID 119310528) is (2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of (2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide?
The InChIKey is XHQCXFWCHQQVIZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-26-12-10-17(21)19(24)22-16-7-4-6-15(13-16)20(25)23-11-9-14-5-2-3-8-18(14)23/h2-8,13,17H,9-12,21H2,1H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide has a molecular weight of 369.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 119310528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).