N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide

C16H17NO3S2 — CID 60511869

IUPACN-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1sccc1-c1ccccc1
InChIInChI=1S/C16H17NO3S2/c18-16(17-13-7-10-22(19,20)11-8-13)15-14(6-9-21-15)12-4-2-1-3-5-12/h1-6,9,13H,7-8,10-11H2,(H,17,18)
InChIKeyMTGHBSHDMLKVEC-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.72
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide

N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide (PubChem CID 60511869) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide
PubChem CID60511869
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC NameN-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1sccc1-c1ccccc1
InChIInChI=1S/C16H17NO3S2/c18-16(17-13-7-10-22(19,20)11-8-13)15-14(6-9-21-15)12-4-2-1-3-5-12/h1-6,9,13H,7-8,10-11H2,(H,17,18)
InChIKeyMTGHBSHDMLKVEC-UHFFFAOYSA-N
XLogP2.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide
CID 95574609
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide
CID 94815316
N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide
CID 99778789
4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229187
3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 121499202
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
CID 30789391
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenylthiophene-2-carboxamide
CID 114631082
N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride
CID 119603142
N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide
CID 51089156
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 78808757
N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide
CID 111425839
N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide
CID 62519290

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide (CID 60511869) is N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide is O=C(NC1CCS(=O)(=O)CC1)c1sccc1-c1ccccc1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide?
The InChIKey is MTGHBSHDMLKVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c18-16(17-13-7-10-22(19,20)11-8-13)15-14(6-9-21-15)12-4-2-1-3-5-12/h1-6,9,13H,7-8,10-11H2,(H,17,18).
What are the key properties of N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide?
N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 60511869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).