N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide

C22H32N2O7S — CID 42773209

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
SMILESCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)S(C)(=O)=O
InChIInChI=1S/C22H32N2O7S/c1-28-13-6-11-24(32(4,26)27)17-22(25)23(16-19-7-5-14-31-19)12-10-18-8-9-20(29-2)21(15-18)30-3/h5,7-9,14-15H,6,10-13,16-17H2,1-4H3
InChIKeyFNRBUEOWGHBXAY-UHFFFAOYSA-N
MW468.57 g/mol
LogP2.17
Rot. Bonds14

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide (PubChem CID 42773209) has the molecular formula C22H32N2O7S and a molecular weight of 468.57 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
PubChem CID42773209
Molecular FormulaC22H32N2O7S
Molecular Weight468.57 g/mol
Exact Mass468.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
SMILESCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)S(C)(=O)=O
InChIInChI=1S/C22H32N2O7S/c1-28-13-6-11-24(32(4,26)27)17-22(25)23(16-19-7-5-14-31-19)12-10-18-8-9-20(29-2)21(15-18)30-3/h5,7-9,14-15H,6,10-13,16-17H2,1-4H3
InChIKeyFNRBUEOWGHBXAY-UHFFFAOYSA-N
XLogP2.17
TPSA98.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide
CID 3911121
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methoxy-N-(3-methoxypropyl)benzamide
CID 3942534
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(3-methoxypropyl)amino]acetamide
CID 3984362
3-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 5238005
2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 42772845
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide
CID 4021706
2-[(3,4-difluorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 3904107
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-fluorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3494114
2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 4579274
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,6-dimethoxy-N-propan-2-ylbenzamide
CID 4544789
2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 3576114
3,4-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3988283

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide (CID 42773209) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide is COCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)S(C)(=O)=O.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The InChIKey is FNRBUEOWGHBXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O7S/c1-28-13-6-11-24(32(4,26)27)17-22(25)23(16-19-7-5-14-31-19)12-10-18-8-9-20(29-2)21(15-18)30-3/h5,7-9,14-15H,6,10-13,16-17H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide has a molecular weight of 468.57 g/mol, XLogP of 2.17, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 42773209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).