N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide

C20H22N2O6S — CID 20938087

IUPACN-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(OC)c1
InChIInChI=1S/C20H22N2O6S/c1-22-17-7-5-15(10-13(17)11-20(22)24)29(25,26)9-8-19(23)21-16-6-4-14(27-2)12-18(16)28-3/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,23)
InChIKeyGGXPWJTXNAOYQP-UHFFFAOYSA-N
MW418.47 g/mol
LogP2.03
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide

N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide (PubChem CID 20938087) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
PubChem CID20938087
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(OC)c1
InChIInChI=1S/C20H22N2O6S/c1-22-17-7-5-15(10-13(17)11-20(22)24)29(25,26)9-8-19(23)21-16-6-4-14(27-2)12-18(16)28-3/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,23)
InChIKeyGGXPWJTXNAOYQP-UHFFFAOYSA-N
XLogP2.03
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(1-methyl-2-oxo-3H-indol-5-yl)urea
CID 30375715
N-(2,4-dimethoxyphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
CID 126458764
3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 20938140
N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
CID 20938219
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethoxyphenyl)propanamide
CID 20853305
N-(2,4-dimethoxyphenyl)-3-[[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl]sulfonyl]propanamide
CID 92686821
N-(2,4-dimethoxyphenyl)-3-[[(2R)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl]sulfonyl]propanamide
CID 95090173
N-(2,4-dimethoxyphenyl)-3-[(2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]propanamide
CID 53122134
N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
CID 20938090
N-(2,4-difluorophenyl)-3-[(1-ethyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
CID 46336037
3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 20938142
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate
CID 110818534

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide (CID 20938087) is N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide is COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide?
The InChIKey is GGXPWJTXNAOYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-22-17-7-5-15(10-13(17)11-20(22)24)29(25,26)9-8-19(23)21-16-6-4-14(27-2)12-18(16)28-3/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide?
N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide has a molecular weight of 418.47 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 20938087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).