N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide

C16H17NO3S2 — CID 664074

IUPACN-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H17NO3S2/c18-16(13-5-2-1-3-6-13)17(11-15-7-4-9-21-15)14-8-10-22(19,20)12-14/h1-7,9,14H,8,10-12H2
InChIKeyLCKKXPPMKDFICM-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.58
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide

N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 664074) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID664074
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H17NO3S2/c18-16(13-5-2-1-3-6-13)17(11-15-7-4-9-21-15)14-8-10-22(19,20)12-14/h1-7,9,14H,8,10-12H2
InChIKeyLCKKXPPMKDFICM-UHFFFAOYSA-N
XLogP2.58
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
4-Benzenesulfonyl-N,N-diethyl-benzamide
CID 823600
4-benzoyl-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one
CID 1479777
N-[1-(Pyrrolidine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2179888
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide
CID 2813034
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide
CID 4964210
1-[(5,5-dioxido-4H-thieno[3,2-c]thiochromen-2-yl)carbonyl]pyrrolidine
CID 6623577
N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-carboxamide
CID 18573629

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 664074) is N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide is O=C(c1ccccc1)N(Cc1cccs1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is LCKKXPPMKDFICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c18-16(13-5-2-1-3-6-13)17(11-15-7-4-9-21-15)14-8-10-22(19,20)12-14/h1-7,9,14H,8,10-12H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 335.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 664074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).