N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide

C18H22N2O4S2 — CID 51181492

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccsc1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H22N2O4S2/c1-14-6-11-25-17(14)13-19(2)18(21)15-4-3-5-16(12-15)26(22,23)20-7-9-24-10-8-20/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyZMFHHIJMHAMTLN-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.35
Rot. Bonds5

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 51181492) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID51181492
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccsc1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H22N2O4S2/c1-14-6-11-25-17(14)13-19(2)18(21)15-4-3-5-16(12-15)26(22,23)20-7-9-24-10-8-20/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyZMFHHIJMHAMTLN-UHFFFAOYSA-N
XLogP2.35
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60603204
N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020414
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020441
N-cyclopentyl-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 134059774
N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610211
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 51338589
N-benzyl-3-morpholin-4-ylsulfonyl-N-phenylbenzamide
CID 26731438
(2,6-dimethylphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2679308
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 24981969

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide (CID 51181492) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide is Cc1ccsc1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZMFHHIJMHAMTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-14-6-11-25-17(14)13-19(2)18(21)15-4-3-5-16(12-15)26(22,23)20-7-9-24-10-8-20/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 394.52 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 51181492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).