N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C23H29N3O5S — CID 43013571

IUPACN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C23H29N3O5S/c1-3-25(4-2)20-10-9-18(32(28,29)26-11-13-30-14-12-26)16-19(20)24-23(27)22-15-17-7-5-6-8-21(17)31-22/h5-10,16,22H,3-4,11-15H2,1-2H3,(H,24,27)
InChIKeyORBWKTHCRLKHLD-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.50
Rot. Bonds7

About N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 43013571) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID43013571
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C23H29N3O5S/c1-3-25(4-2)20-10-9-18(32(28,29)26-11-13-30-14-12-26)16-19(20)24-23(27)22-15-17-7-5-6-8-21(17)31-22/h5-10,16,22H,3-4,11-15H2,1-2H3,(H,24,27)
InChIKeyORBWKTHCRLKHLD-UHFFFAOYSA-N
XLogP2.50
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide
CID 55476539
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide
CID 46796637
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 42965288
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-(2-fluorophenyl)propanamide
CID 55363274
2-[cyclopropyl(2-methylpropyl)amino]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 43061643
2-(benzotriazol-1-yl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 55370605
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 30587513
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667278
2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide
CID 43004744
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 29431549
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylfuran-3-carboxamide
CID 55382027

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 43013571) is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ORBWKTHCRLKHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-3-25(4-2)20-10-9-18(32(28,29)26-11-13-30-14-12-26)16-19(20)24-23(27)22-15-17-7-5-6-8-21(17)31-22/h5-10,16,22H,3-4,11-15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43013571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).