1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea

C21H24N2O3S — CID 90583403

IUPAC1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea
SMILESCOc1ccc(CCNC(=O)N(CCc2cccs2)Cc2ccoc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-25-19-6-4-17(5-7-19)8-11-22-21(24)23(15-18-10-13-26-16-18)12-9-20-3-2-14-27-20/h2-7,10,13-14,16H,8-9,11-12,15H2,1H3,(H,22,24)
InChIKeyRXZICCVBTOHOIK-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.35
Rot. Bonds9

About 1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea

1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea (PubChem CID 90583403) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea
PubChem CID90583403
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea
SMILESCOc1ccc(CCNC(=O)N(CCc2cccs2)Cc2ccoc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-25-19-6-4-17(5-7-19)8-11-22-21(24)23(15-18-10-13-26-16-18)12-9-20-3-2-14-27-20/h2-7,10,13-14,16H,8-9,11-12,15H2,1H3,(H,22,24)
InChIKeyRXZICCVBTOHOIK-UHFFFAOYSA-N
XLogP4.35
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide
CID 72717963
N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90583211
1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583385
1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea
CID 90583109
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512951
N-(furan-3-ylmethyl)-2-phenoxy-N-(2-thiophen-2-ylethyl)propanamide
CID 71804174
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583396
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea
CID 71804034
1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90558552
N-[2-(furan-3-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 90558497
2-(4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733443

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea (CID 90583403) is 1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea is COc1ccc(CCNC(=O)N(CCc2cccs2)Cc2ccoc2)cc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea?
The InChIKey is RXZICCVBTOHOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-25-19-6-4-17(5-7-19)8-11-22-21(24)23(15-18-10-13-26-16-18)12-9-20-3-2-14-27-20/h2-7,10,13-14,16H,8-9,11-12,15H2,1H3,(H,22,24).
What are the key properties of 1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea?
1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea has a molecular weight of 384.50 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 90583403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).