N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide

C17H20N2O3S — CID 94466609

IUPACN-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)N[C@H]1COc2ccccc2C1
InChIInChI=1S/C17H20N2O3S/c1-11-15(12(2)22-19-11)9-23-10-17(20)18-14-7-13-5-3-4-6-16(13)21-8-14/h3-6,14H,7-10H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyIKFIOMVGMDPDKZ-CQSZACIVSA-N
MW332.43 g/mol
LogP2.64
Rot. Bonds5

About N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide

N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 94466609) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID94466609
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)N[C@H]1COc2ccccc2C1
InChIInChI=1S/C17H20N2O3S/c1-11-15(12(2)22-19-11)9-23-10-17(20)18-14-7-13-5-3-4-6-16(13)21-8-14/h3-6,14H,7-10H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyIKFIOMVGMDPDKZ-CQSZACIVSA-N
XLogP2.64
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 129366981
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18105931
N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 86286458
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
methyl 4-(3,4-dihydro-2H-chromen-3-ylamino)-4-oxobutanoate
CID 110751478
(3S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97029666
N-(3,4-dihydro-2H-chromen-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 119041092
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]acetamide
CID 125163939
N-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide
CID 17391075
N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18168523
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide
CID 129368199
N-cyano-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 79194350

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (CID 94466609) is N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is Cc1noc(C)c1CSCC(=O)N[C@H]1COc2ccccc2C1.
What is the InChIKey of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is IKFIOMVGMDPDKZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11-15(12(2)22-19-11)9-23-10-17(20)18-14-7-13-5-3-4-6-16(13)21-8-14/h3-6,14H,7-10H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 94466609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).