2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide

C17H18N2O3S — CID 124851258

IUPAC2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESC[C@H](SCC(=O)N(C)Cc1ccco1)c1nc2ccccc2o1
InChIInChI=1S/C17H18N2O3S/c1-12(17-18-14-7-3-4-8-15(14)22-17)23-11-16(20)19(2)10-13-6-5-9-21-13/h3-9,12H,10-11H2,1-2H3/t12-/m0/s1
InChIKeyRYYSKZISHMUHQI-LBPRGKRZSA-N
MW330.41 g/mol
LogP3.87
Rot. Bonds6

About 2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide

2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 124851258) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID124851258
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESC[C@H](SCC(=O)N(C)Cc1ccco1)c1nc2ccccc2o1
InChIInChI=1S/C17H18N2O3S/c1-12(17-18-14-7-3-4-8-15(14)22-17)23-11-16(20)19(2)10-13-6-5-9-21-13/h3-9,12H,10-11H2,1-2H3/t12-/m0/s1
InChIKeyRYYSKZISHMUHQI-LBPRGKRZSA-N
XLogP3.87
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide 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

2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 66219613
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
2-(3-aminobutylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 66234187
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
CID 30556355
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
CID 51073014
2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 100708985
5-[furan-2-ylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966065
4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43300561
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
CID 37285792
(2S)-2-amino-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 106443214
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide (CID 124851258) is 2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide is C[C@H](SCC(=O)N(C)Cc1ccco1)c1nc2ccccc2o1.
What is the InChIKey of 2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is RYYSKZISHMUHQI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12(17-18-14-7-3-4-8-15(14)22-17)23-11-16(20)19(2)10-13-6-5-9-21-13/h3-9,12H,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 330.41 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 124851258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).