N-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

C16H18N2O4S2 — CID 646420

IUPACN-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1
InChIInChI=1S/C16H18N2O4S2/c1-12-4-2-3-5-14(12)17-16(19)15-10-13(11-23-15)24(20,21)18-6-8-22-9-7-18/h2-5,10-11H,6-9H2,1H3,(H,17,19)
InChIKeyUSLWUSUZXWPRDO-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.33
Rot. Bonds4

About N-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 646420) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID646420
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1
InChIInChI=1S/C16H18N2O4S2/c1-12-4-2-3-5-14(12)17-16(19)15-10-13(11-23-15)24(20,21)18-6-8-22-9-7-18/h2-5,10-11H,6-9H2,1H3,(H,17,19)
InChIKeyUSLWUSUZXWPRDO-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 646420) is N-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1.
What is the InChIKey of N-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is USLWUSUZXWPRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-12-4-2-3-5-14(12)17-16(19)15-10-13(11-23-15)24(20,21)18-6-8-22-9-7-18/h2-5,10-11H,6-9H2,1H3,(H,17,19).
What are the key properties of N-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 646420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).