N-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

C15H15ClN2O4S2 — CID 2994412

IUPACN-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)cs1
InChIInChI=1S/C15H15ClN2O4S2/c16-11-2-1-3-12(8-11)17-15(19)14-9-13(10-23-14)24(20,21)18-4-6-22-7-5-18/h1-3,8-10H,4-7H2,(H,17,19)
InChIKeyOOIQKFSTCXVYGJ-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.67
Rot. Bonds4

About N-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 2994412) has the molecular formula C15H15ClN2O4S2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID2994412
Molecular FormulaC15H15ClN2O4S2
Molecular Weight386.88 g/mol
Exact Mass386.02
IUPAC NameN-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)cs1
InChIInChI=1S/C15H15ClN2O4S2/c16-11-2-1-3-12(8-11)17-15(19)14-9-13(10-23-14)24(20,21)18-4-6-22-7-5-18/h1-3,8-10H,4-7H2,(H,17,19)
InChIKeyOOIQKFSTCXVYGJ-UHFFFAOYSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 2994412) is N-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)cs1.
What is the InChIKey of N-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is OOIQKFSTCXVYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S2/c16-11-2-1-3-12(8-11)17-15(19)14-9-13(10-23-14)24(20,21)18-4-6-22-7-5-18/h1-3,8-10H,4-7H2,(H,17,19).
What are the key properties of N-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 2994412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).