N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide

C15H18N2O2S2 — CID 167755284

IUPACN-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide
SMILESCc1ccc(CNc2cccc(C(=O)N=S(C)(C)=O)c2)s1
InChIInChI=1S/C15H18N2O2S2/c1-11-7-8-14(20-11)10-16-13-6-4-5-12(9-13)15(18)17-21(2,3)19/h4-9,16H,10H2,1-3H3
InChIKeyMYIJZRARHGSYRC-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.54
Rot. Bonds4

About N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide

N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide (PubChem CID 167755284) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide
PubChem CID167755284
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide
SMILESCc1ccc(CNc2cccc(C(=O)N=S(C)(C)=O)c2)s1
InChIInChI=1S/C15H18N2O2S2/c1-11-7-8-14(20-11)10-16-13-6-4-5-12(9-13)15(18)17-21(2,3)19/h4-9,16H,10H2,1-3H3
InChIKeyMYIJZRARHGSYRC-UHFFFAOYSA-N
XLogP3.54
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide
CID 28731496
3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 28614899
tert-butyl N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 107240037
2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 71913402
3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43725444
3-[(5-methylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 61072894
N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43691900
N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide
CID 26232184
N-[(5-methylthiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 60936009
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 54868850
N-[3-[(5-cyanothiophen-2-yl)methylamino]phenyl]methanesulfonamide
CID 115743740
1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one
CID 43696383

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide?
The IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide (CID 167755284) is N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide.
What is the SMILES notation for N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide?
The canonical SMILES for N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide is Cc1ccc(CNc2cccc(C(=O)N=S(C)(C)=O)c2)s1.
What is the InChIKey of N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide?
The InChIKey is MYIJZRARHGSYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-11-7-8-14(20-11)10-16-13-6-4-5-12(9-13)15(18)17-21(2,3)19/h4-9,16H,10H2,1-3H3.
What are the key properties of N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide?
N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide has a molecular weight of 322.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide is sourced from PubChem (CID 167755284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).