3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide

C21H21N3O5S — CID 51133835

IUPAC3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccnc(NC(=O)CN(C)C(=O)c2occc2CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H21N3O5S/c1-15-8-10-22-18(12-15)23-19(25)13-24(2)21(26)20-16(9-11-29-20)14-30(27,28)17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,22,23,25)
InChIKeyXKWBBONGICLATI-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.67
Rot. Bonds7

About 3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 51133835) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID51133835
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccnc(NC(=O)CN(C)C(=O)c2occc2CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H21N3O5S/c1-15-8-10-22-18(12-15)23-19(25)13-24(2)21(26)20-16(9-11-29-20)14-30(27,28)17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,22,23,25)
InChIKeyXKWBBONGICLATI-UHFFFAOYSA-N
XLogP2.67
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonylmethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 51284345
3-(benzenesulfonylmethyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55466072
3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 51283759
N,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 155944690
2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 47351627
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide
CID 43054440
2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide
CID 1094082
2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 56523214
(3R)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95335512
3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 86923783
3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide
CID 56552534

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 51133835) is 3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide is Cc1ccnc(NC(=O)CN(C)C(=O)c2occc2CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is XKWBBONGICLATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-15-8-10-22-18(12-15)23-19(25)13-24(2)21(26)20-16(9-11-29-20)14-30(27,28)17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,22,23,25).
What are the key properties of 3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 51133835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).