N-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide

C17H19N3O5S2 — CID 4075803

IUPACN-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H19N3O5S2/c1-18-16(22)14-6-11-26-17(14)19-15(21)12-2-4-13(5-3-12)27(23,24)20-7-9-25-10-8-20/h2-6,11H,7-10H2,1H3,(H,18,22)(H,19,21)
InChIKeyRKACWLNHYFRLHC-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.38
Rot. Bonds5

About N-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide

N-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 4075803) has the molecular formula C17H19N3O5S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID4075803
Molecular FormulaC17H19N3O5S2
Molecular Weight409.49 g/mol
Exact Mass409.08
IUPAC NameN-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H19N3O5S2/c1-18-16(22)14-6-11-26-17(14)19-15(21)12-2-4-13(5-3-12)27(23,24)20-7-9-25-10-8-20/h2-6,11H,7-10H2,1H3,(H,18,22)(H,19,21)
InChIKeyRKACWLNHYFRLHC-UHFFFAOYSA-N
XLogP1.38
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of N-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide (CID 4075803) is N-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide is CNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is RKACWLNHYFRLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S2/c1-18-16(22)14-6-11-26-17(14)19-15(21)12-2-4-13(5-3-12)27(23,24)20-7-9-25-10-8-20/h2-6,11H,7-10H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide?
N-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 4075803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).