2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide

C26H32N2O6S — CID 4579274

IUPAC2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(CCN(Cc2ccco2)C(=O)CN(C(C)C)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C26H32N2O6S/c1-20(2)28(35(30,31)23-10-6-5-7-11-23)19-26(29)27(18-22-9-8-16-34-22)15-14-21-12-13-24(32-3)25(17-21)33-4/h5-13,16-17,20H,14-15,18-19H2,1-4H3
InChIKeyXPFMVHHVHJTOSG-UHFFFAOYSA-N
MW500.62 g/mol
LogP3.97
Rot. Bonds12

About 2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide

2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 4579274) has the molecular formula C26H32N2O6S and a molecular weight of 500.62 g/mol. Its IUPAC name is 2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID4579274
Molecular FormulaC26H32N2O6S
Molecular Weight500.62 g/mol
Exact Mass500.20
IUPAC Name2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(CCN(Cc2ccco2)C(=O)CN(C(C)C)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C26H32N2O6S/c1-20(2)28(35(30,31)23-10-6-5-7-11-23)19-26(29)27(18-22-9-8-16-34-22)15-14-21-12-13-24(32-3)25(17-21)33-4/h5-13,16-17,20H,14-15,18-19H2,1-4H3
InChIKeyXPFMVHHVHJTOSG-UHFFFAOYSA-N
XLogP3.97
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.62
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 3576114
2-[(4-bromophenyl)sulfonyl-butan-2-ylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 4570482
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 3644955
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,6-dimethoxy-N-propan-2-ylbenzamide
CID 4544789
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide
CID 3675842
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 42773209
2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)propanamide
CID 3395188
ethyl 4-[[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate
CID 4544780
N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 4297031
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylcarbamoyl(propan-2-yl)amino]acetamide
CID 4003325
2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 42772845
(3S)-N-tert-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
CID 92970707

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide (CID 4579274) is 2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide is COc1ccc(CCN(Cc2ccco2)C(=O)CN(C(C)C)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is XPFMVHHVHJTOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6S/c1-20(2)28(35(30,31)23-10-6-5-7-11-23)19-26(29)27(18-22-9-8-16-34-22)15-14-21-12-13-24(32-3)25(17-21)33-4/h5-13,16-17,20H,14-15,18-19H2,1-4H3.
What are the key properties of 2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide?
2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 500.62 g/mol, XLogP of 3.97, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 4579274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).