2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide

C16H24N2O3S — CID 95233739

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide
SMILESCC(C)N(C)c1cccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C16H24N2O3S/c1-12(2)18(3)15-6-4-5-14(10-15)17-16(19)9-13-7-8-22(20,21)11-13/h4-6,10,12-13H,7-9,11H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyMXESWOCMWFLSPP-CYBMUJFWSA-N
MW324.45 g/mol
LogP2.29
Rot. Bonds5

About 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide

2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide (PubChem CID 95233739) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide
PubChem CID95233739
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide
SMILESCC(C)N(C)c1cccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C16H24N2O3S/c1-12(2)18(3)15-6-4-5-14(10-15)17-16(19)9-13-7-8-22(20,21)11-13/h4-6,10,12-13H,7-9,11H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyMXESWOCMWFLSPP-CYBMUJFWSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-iodophenyl)acetamide
CID 9046010
2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride
CID 119883167
3-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]benzoic acid
CID 4125020
N-(3-cyanophenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9269904
N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7115987
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9188283
N-(3,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 16590105
N-(3-acetylphenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 110861049
N-(1,3-benzodioxol-5-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9042682
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-iodo-4-methylphenyl)acetamide
CID 9047493
N-(3-chloro-4-methylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222844
N-(3-bromophenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 110862888

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide (CID 95233739) is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide is CC(C)N(C)c1cccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c1.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide?
The InChIKey is MXESWOCMWFLSPP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12(2)18(3)15-6-4-5-14(10-15)17-16(19)9-13-7-8-22(20,21)11-13/h4-6,10,12-13H,7-9,11H2,1-3H3,(H,17,19)/t13-/m1/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide?
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide has a molecular weight of 324.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 95233739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).