N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide

C18H24N2O7S — CID 3467487

IUPACN-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(=O)NCC(OC)OC)c2ccco2)cc1
InChIInChI=1S/C18H24N2O7S/c1-24-13-6-8-14(9-7-13)28(22,23)20-15(16-5-4-10-27-16)11-17(21)19-12-18(25-2)26-3/h4-10,15,18,20H,11-12H2,1-3H3,(H,19,21)
InChIKeyUYBDHNMUOUGULG-UHFFFAOYSA-N
MW412.46 g/mol
LogP1.43
Rot. Bonds11

About N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide

N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 3467487) has the molecular formula C18H24N2O7S and a molecular weight of 412.46 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID3467487
Molecular FormulaC18H24N2O7S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC NameN-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(=O)NCC(OC)OC)c2ccco2)cc1
InChIInChI=1S/C18H24N2O7S/c1-24-13-6-8-14(9-7-13)28(22,23)20-15(16-5-4-10-27-16)11-17(21)19-12-18(25-2)26-3/h4-10,15,18,20H,11-12H2,1-3H3,(H,19,21)
InChIKeyUYBDHNMUOUGULG-UHFFFAOYSA-N
XLogP1.43
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide
CID 4570118
N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 4157955
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 5233233
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxybenzenesulfonamide
CID 121145607
(3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 98230566
3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide
CID 4146613
3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide
CID 4157844
N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255406
3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 3618581
3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)propanoate
CID 3651126
(2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide
CID 86604866
(2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 39965551

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 3467487) is N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)NC(CC(=O)NCC(OC)OC)c2ccco2)cc1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is UYBDHNMUOUGULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O7S/c1-24-13-6-8-14(9-7-13)28(22,23)20-15(16-5-4-10-27-16)11-17(21)19-12-18(25-2)26-3/h4-10,15,18,20H,11-12H2,1-3H3,(H,19,21).
What are the key properties of N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 412.46 g/mol, XLogP of 1.43, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 3467487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).