N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide

C20H17N3O2S — CID 2153553

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2c(-c3ccccc3)[nH]c3ccccc23)no1
InChIInChI=1S/C20H17N3O2S/c1-13-11-17(23-25-13)22-18(24)12-26-20-15-9-5-6-10-16(15)21-19(20)14-7-3-2-4-8-14/h2-11,21H,12H2,1H3,(H,22,23,24)
InChIKeySMSSBSCHFLNLMM-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.86
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide (PubChem CID 2153553) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide
PubChem CID2153553
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2c(-c3ccccc3)[nH]c3ccccc23)no1
InChIInChI=1S/C20H17N3O2S/c1-13-11-17(23-25-13)22-18(24)12-26-20-15-9-5-6-10-16(15)21-19(20)14-7-3-2-4-8-14/h2-11,21H,12H2,1H3,(H,22,23,24)
InChIKeySMSSBSCHFLNLMM-UHFFFAOYSA-N
XLogP4.86
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4088536
N-(5-Methyl-isoxazol-3-yl)-2-(3,7,8-trimethyl-quinolin-2-ylsulfanyl)-acetamide
CID 857565
2-(3,7-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1176129
2-(3-Cyano-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1433850
2-[[1-[(3-chlorophenyl)methyl]-3-indolyl]sulfinyl]-N-(5-methyl-3-isoxazolyl)acetamide
CID 44247543
N-(5-Methylisoxazole-3-yl)-(1H-indole-3-yl)sulfonylacetamide
CID 751482
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide
CID 166008551
2-(1-methylindol-3-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 751497
2-((1-(4-fluorobenzyl)-1H-indol-3-yl)sulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
CID 2053132
2-(3-Ethyl-6-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3208003
2-(3-Ethyl-5,8-dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3208188
2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3208214

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide (CID 2153553) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide is Cc1cc(NC(=O)CSc2c(-c3ccccc3)[nH]c3ccccc23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide?
The InChIKey is SMSSBSCHFLNLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-13-11-17(23-25-13)22-18(24)12-26-20-15-9-5-6-10-16(15)21-19(20)14-7-3-2-4-8-14/h2-11,21H,12H2,1H3,(H,22,23,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide has a molecular weight of 363.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2153553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).