2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide

C16H22N2O4S — CID 651444

IUPAC2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)CC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H22N2O4S/c1-12-4-6-13(7-5-12)18-16(20)11-23(21)10-15(19)17-9-14-3-2-8-22-14/h4-7,14H,2-3,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyGJNJTCMFMPRCGZ-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.98
Rot. Bonds7

About 2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide

2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 651444) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID651444
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)CC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H22N2O4S/c1-12-4-6-13(7-5-12)18-16(20)11-23(21)10-15(19)17-9-14-3-2-8-22-14/h4-7,14H,2-3,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyGJNJTCMFMPRCGZ-UHFFFAOYSA-N
XLogP0.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883455
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883500
2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 3245262
(S)-N-[[3-[4-(3,6-dihydro-1,1-dioxido-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
CID 18684838
N-(4-methylphenyl)-2-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}acetamide
CID 733613
2-{[(Tetrahydro-furan-2-ylmethyl)-carbamoyl]-methanesulfinyl}-N-(2,4,6-trimethyl-phenyl)-acetamide
CID 650970
2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 3238690
2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 3241698
2-[(4-Ethyl-phenylcarbamoyl)-methanesulfinyl]-N-(4-morpholin-4-yl-phenyl)-acetamide
CID 24792575
N-[[(5S)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 478455
N-[[(5S)-3-[4-(3,4-dihydro-1,1-dioxido-2H-thiopyran-4-yl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
CID 10193784
Carbamic acid, N-(p-acetamidobenzylsulfonyl)ethyl-, ethyl ester
CID 44966

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide (CID 651444) is 2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(NC(=O)CS(=O)CC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is GJNJTCMFMPRCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-12-4-6-13(7-5-12)18-16(20)11-23(21)10-15(19)17-9-14-3-2-8-22-14/h4-7,14H,2-3,8-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide?
2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 338.43 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 651444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).