6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide

C18H20N4O3S2 — CID 51703534

IUPAC6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@H](CCSC)C(=O)Nc3nccs3)[nH]c2c1
InChIInChI=1S/C18H20N4O3S2/c1-25-12-4-3-11-9-15(20-14(11)10-12)17(24)21-13(5-7-26-2)16(23)22-18-19-6-8-27-18/h3-4,6,8-10,13,20H,5,7H2,1-2H3,(H,21,24)(H,19,22,23)/t13-/m1/s1
InChIKeyWDLFXOTXPHEZRD-CYBMUJFWSA-N
MW404.52 g/mol
LogP3.12
Rot. Bonds8

About 6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide

6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide (PubChem CID 51703534) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide
PubChem CID51703534
Molecular FormulaC18H20N4O3S2
Molecular Weight404.52 g/mol
Exact Mass404.10
IUPAC Name6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@H](CCSC)C(=O)Nc3nccs3)[nH]c2c1
InChIInChI=1S/C18H20N4O3S2/c1-25-12-4-3-11-9-15(20-14(11)10-12)17(24)21-13(5-7-26-2)16(23)22-18-19-6-8-27-18/h3-4,6,8-10,13,20H,5,7H2,1-2H3,(H,21,24)(H,19,22,23)/t13-/m1/s1
InChIKeyWDLFXOTXPHEZRD-CYBMUJFWSA-N
XLogP3.12
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide
CID 5171439
(2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)butanamide
CID 40972842
2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 9118306
2-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 9118307
4-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide
CID 41078869
5-methoxy-1-methyl-N-[(2S)-4-methylsulfanyl-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]indole-2-carboxamide
CID 42535905
(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476
N-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 167834726
(2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 40829927
2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 17034258
N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide
CID 97143321
N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 134002747

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide (CID 51703534) is 6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N[C@H](CCSC)C(=O)Nc3nccs3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is WDLFXOTXPHEZRD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c1-25-12-4-3-11-9-15(20-14(11)10-12)17(24)21-13(5-7-26-2)16(23)22-18-19-6-8-27-18/h3-4,6,8-10,13,20H,5,7H2,1-2H3,(H,21,24)(H,19,22,23)/t13-/m1/s1.
What are the key properties of 6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide?
6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 51703534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).