N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide

C16H18N2O4S2 — CID 110352511

IUPACN-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide
SMILESCC1CN(S(=O)(=O)c2cccc(NC(=O)c3cccs3)c2)CCO1
InChIInChI=1S/C16H18N2O4S2/c1-12-11-18(7-8-22-12)24(20,21)14-5-2-4-13(10-14)17-16(19)15-6-3-9-23-15/h2-6,9-10,12H,7-8,11H2,1H3,(H,17,19)
InChIKeyRVKVJUICIZGKNW-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.41
Rot. Bonds4

About N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide

N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide (PubChem CID 110352511) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide
PubChem CID110352511
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide
SMILESCC1CN(S(=O)(=O)c2cccc(NC(=O)c3cccs3)c2)CCO1
InChIInChI=1S/C16H18N2O4S2/c1-12-11-18(7-8-22-12)24(20,21)14-5-2-4-13(10-14)17-16(19)15-6-3-9-23-15/h2-6,9-10,12H,7-8,11H2,1H3,(H,17,19)
InChIKeyRVKVJUICIZGKNW-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 110352531
N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343662
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 4921124
N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343671
N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 30711252
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 6530820
N-(3-cyclopentylsulfonylphenyl)thiophene-2-carboxamide
CID 39209914
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3,4-dimethoxy-5-(thiophene-2-carbonylamino)benzoate
CID 4676305
4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide
CID 55698247
N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 46532752
(2S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55943962

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide (CID 110352511) is N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide is CC1CN(S(=O)(=O)c2cccc(NC(=O)c3cccs3)c2)CCO1.
What is the InChIKey of N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide?
The InChIKey is RVKVJUICIZGKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-12-11-18(7-8-22-12)24(20,21)14-5-2-4-13(10-14)17-16(19)15-6-3-9-23-15/h2-6,9-10,12H,7-8,11H2,1H3,(H,17,19).
What are the key properties of N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide?
N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 110352511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).