N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide

C18H19NO3S — CID 95741050

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide
SMILESCc1cccc(-c2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C18H19NO3S/c1-13-4-2-5-14(10-13)15-6-3-7-16(11-15)18(20)19-17-8-9-23(21,22)12-17/h2-7,10-11,17H,8-9,12H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyRTMFLYRFRCYVNA-KRWDZBQOSA-N
MW329.42 g/mol
LogP2.58
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide

N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide (PubChem CID 95741050) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide
PubChem CID95741050
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide
SMILESCc1cccc(-c2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C18H19NO3S/c1-13-4-2-5-14(10-13)15-6-3-7-16(11-15)18(20)19-17-8-9-23(21,22)12-17/h2-7,10-11,17H,8-9,12H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyRTMFLYRFRCYVNA-KRWDZBQOSA-N
XLogP2.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
3-N-(1,1-dioxothiolan-3-yl)-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054366
3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51240308
N-[2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide
CID 111143344
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 121499202
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-4-methylbenzamide
CID 43176544
N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide
CID 109237173
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 43156321
3-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76907236
3-N-(1,1-dioxothiolan-3-yl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109055570
N-(1,1-dioxothiolan-3-yl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109260839

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide (CID 95741050) is N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide is Cc1cccc(-c2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)c1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide?
The InChIKey is RTMFLYRFRCYVNA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-13-4-2-5-14(10-13)15-6-3-7-16(11-15)18(20)19-17-8-9-23(21,22)12-17/h2-7,10-11,17H,8-9,12H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide has a molecular weight of 329.42 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide is sourced from PubChem (CID 95741050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).