5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide

C21H21ClN2O5S — CID 55381019

IUPAC5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C21H21ClN2O5S/c1-14-18-12-16(22)4-7-19(18)29-20(14)21(25)23-13-15-2-5-17(6-3-15)30(26,27)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,23,25)
InChIKeyBSPSBNCUGJSVSD-UHFFFAOYSA-N
MW448.93 g/mol
LogP3.35
Rot. Bonds5

About 5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide

5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 55381019) has the molecular formula C21H21ClN2O5S and a molecular weight of 448.93 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID55381019
Molecular FormulaC21H21ClN2O5S
Molecular Weight448.93 g/mol
Exact Mass448.09
IUPAC Name5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C21H21ClN2O5S/c1-14-18-12-16(22)4-7-19(18)29-20(14)21(25)23-13-15-2-5-17(6-3-15)30(26,27)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,23,25)
InChIKeyBSPSBNCUGJSVSD-UHFFFAOYSA-N
XLogP3.35
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30505497
2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 26662569
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 24548447
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide
CID 3241742
(3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 4089524
2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide
CID 86954311
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide
CID 53170666
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52985339

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide (CID 55381019) is 5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is BSPSBNCUGJSVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O5S/c1-14-18-12-16(22)4-7-19(18)29-20(14)21(25)23-13-15-2-5-17(6-3-15)30(26,27)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,23,25).
What are the key properties of 5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?
5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 448.93 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55381019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).