N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide

C27H34N2O5S — CID 42664577

IUPACN-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESCCC(C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)Cc1cccs1
InChIInChI=1S/C27H34N2O5S/c1-5-20(2)29(26(30)17-23-9-7-15-35-23)19-27(31)28(18-22-8-6-14-34-22)13-12-21-10-11-24(32-3)25(16-21)33-4/h6-11,14-16,20H,5,12-13,17-19H2,1-4H3
InChIKeyXBXMMCBPWIIYHD-UHFFFAOYSA-N
MW498.65 g/mol
LogP4.80
Rot. Bonds13

About N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide

N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide (PubChem CID 42664577) has the molecular formula C27H34N2O5S and a molecular weight of 498.65 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
PubChem CID42664577
Molecular FormulaC27H34N2O5S
Molecular Weight498.65 g/mol
Exact Mass498.22
IUPAC NameN-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESCCC(C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)Cc1cccs1
InChIInChI=1S/C27H34N2O5S/c1-5-20(2)29(26(30)17-23-9-7-15-35-23)19-27(31)28(18-22-8-6-14-34-22)13-12-21-10-11-24(32-3)25(16-21)33-4/h6-11,14-16,20H,5,12-13,17-19H2,1-4H3
InChIKeyXBXMMCBPWIIYHD-UHFFFAOYSA-N
XLogP4.80
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]dodecanamide
CID 42664580
(3R)-N-[(2S)-butan-2-yl]-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
CID 93109665
4-bromo-N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 3494872
N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 4297031
N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-pentylbenzamide
CID 4297034
3-bromo-N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 4303775
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,6-dimethoxy-N-propan-2-ylbenzamide
CID 4544789
N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 5176279
2-[butan-2-yl-[(2-ethylphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3273467
ethyl 4-[[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate
CID 4544780
2-[benzylcarbamoyl(butan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4011032
2-[butan-2-yl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 3452751

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide (CID 42664577) is N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide is CCC(C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)Cc1cccs1.
What is the InChIKey of N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
The InChIKey is XBXMMCBPWIIYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O5S/c1-5-20(2)29(26(30)17-23-9-7-15-35-23)19-27(31)28(18-22-8-6-14-34-22)13-12-21-10-11-24(32-3)25(16-21)33-4/h6-11,14-16,20H,5,12-13,17-19H2,1-4H3.
What are the key properties of N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide has a molecular weight of 498.65 g/mol, XLogP of 4.80, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42664577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).