N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide

C16H15N3O4S2 — CID 2105108

IUPACN-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESN#Cc1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H15N3O4S2/c17-11-13-5-10-24-16(13)18-15(20)12-1-3-14(4-2-12)25(21,22)19-6-8-23-9-7-19/h1-5,10H,6-9H2,(H,18,20)
InChIKeyNUEIRRIOMRGKQV-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.89
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide

N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2105108) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2105108
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC NameN-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESN#Cc1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H15N3O4S2/c17-11-13-5-10-24-16(13)18-15(20)12-1-3-14(4-2-12)25(21,22)19-6-8-23-9-7-19/h1-5,10H,6-9H2,(H,18,20)
InChIKeyNUEIRRIOMRGKQV-UHFFFAOYSA-N
XLogP1.89
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
CID 5044047
N-(3-cyanothiophen-2-yl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 7164210
N-(3-cyanothiophen-2-yl)-4-propan-2-ylsulfonylbenzamide
CID 18587186
N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2105110
4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 4282639
ethyl 4-cyano-3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate
CID 41006259
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 7656091
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-morpholin-4-ylsulfonylbenzamide
CID 9051733

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide (CID 2105108) is N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide is N#Cc1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NUEIRRIOMRGKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c17-11-13-5-10-24-16(13)18-15(20)12-1-3-14(4-2-12)25(21,22)19-6-8-23-9-7-19/h1-5,10H,6-9H2,(H,18,20).
What are the key properties of N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 377.45 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2105108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).