4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide

C16H18N2O7S — CID 108782861

IUPAC4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2oc(C)c(C(C)=O)c2C(N)=O)cc1OC
InChIInChI=1S/C16H18N2O7S/c1-8(19)13-9(2)25-16(14(13)15(17)20)18-26(21,22)10-5-6-11(23-3)12(7-10)24-4/h5-7,18H,1-4H3,(H2,17,20)
InChIKeyDAEJVSKKQBVODS-UHFFFAOYSA-N
MW382.39 g/mol
LogP1.71
Rot. Bonds7

About 4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide

4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide (PubChem CID 108782861) has the molecular formula C16H18N2O7S and a molecular weight of 382.39 g/mol. Its IUPAC name is 4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide
PubChem CID108782861
Molecular FormulaC16H18N2O7S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC Name4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2oc(C)c(C(C)=O)c2C(N)=O)cc1OC
InChIInChI=1S/C16H18N2O7S/c1-8(19)13-9(2)25-16(14(13)15(17)20)18-26(21,22)10-5-6-11(23-3)12(7-10)24-4/h5-7,18H,1-4H3,(H2,17,20)
InChIKeyDAEJVSKKQBVODS-UHFFFAOYSA-N
XLogP1.71
TPSA137.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide
CID 108782851
4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763285
4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide
CID 108782846
ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate
CID 108782911
(E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75401971
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773009
ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate
CID 26970116
3-bromo-6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoic acid
CID 86807570
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8842360
3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019607

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide?
The IUPAC name of 4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide (CID 108782861) is 4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide.
What is the SMILES notation for 4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide?
The canonical SMILES for 4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide is COc1ccc(S(=O)(=O)Nc2oc(C)c(C(C)=O)c2C(N)=O)cc1OC.
What is the InChIKey of 4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide?
The InChIKey is DAEJVSKKQBVODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O7S/c1-8(19)13-9(2)25-16(14(13)15(17)20)18-26(21,22)10-5-6-11(23-3)12(7-10)24-4/h5-7,18H,1-4H3,(H2,17,20).
What are the key properties of 4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide?
4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 108782861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).