1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea

C18H24N2O3S — CID 75371173

IUPAC1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea
SMILESCOCCCSc1ccc(NC(=O)N(C)C(C)c2ccco2)cc1
InChIInChI=1S/C18H24N2O3S/c1-14(17-6-4-12-23-17)20(2)18(21)19-15-7-9-16(10-8-15)24-13-5-11-22-3/h4,6-10,12,14H,5,11,13H2,1-3H3,(H,19,21)
InChIKeyLOJFBUSEQLABNA-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.63
Rot. Bonds8

About 1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea

1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea (PubChem CID 75371173) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea
PubChem CID75371173
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea
SMILESCOCCCSc1ccc(NC(=O)N(C)C(C)c2ccco2)cc1
InChIInChI=1S/C18H24N2O3S/c1-14(17-6-4-12-23-17)20(2)18(21)19-15-7-9-16(10-8-15)24-13-5-11-22-3/h4,6-10,12,14H,5,11,13H2,1-3H3,(H,19,21)
InChIKeyLOJFBUSEQLABNA-UHFFFAOYSA-N
XLogP4.63
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea
CID 87013122
N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide
CID 71984777
tert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate
CID 78852970
1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea
CID 146083195
1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine
CID 63857447
1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea
CID 3244728
3-(3-bromo-5-chloro-2-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea
CID 86869851
1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea
CID 111459237
3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea
CID 4523827
N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide
CID 78853140
N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 51219141
2-[4-(3-methoxypropylsulfanyl)phenyl]acetic acid
CID 64928366

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea?
The IUPAC name of 1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea (CID 75371173) is 1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea.
What is the SMILES notation for 1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea?
The canonical SMILES for 1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea is COCCCSc1ccc(NC(=O)N(C)C(C)c2ccco2)cc1.
What is the InChIKey of 1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea?
The InChIKey is LOJFBUSEQLABNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-14(17-6-4-12-23-17)20(2)18(21)19-15-7-9-16(10-8-15)24-13-5-11-22-3/h4,6-10,12,14H,5,11,13H2,1-3H3,(H,19,21).
What are the key properties of 1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea?
1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea has a molecular weight of 348.47 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea is sourced from PubChem (CID 75371173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).