1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea

C14H16N2O4S — CID 60603582

IUPAC1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea
SMILESCS(=O)(=O)Cc1ccccc1NC(=O)NCc1ccco1
InChIInChI=1S/C14H16N2O4S/c1-21(18,19)10-11-5-2-3-7-13(11)16-14(17)15-9-12-6-4-8-20-12/h2-8H,9-10H2,1H3,(H2,15,16,17)
InChIKeyPRWVXLNWNDUFDZ-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.15
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea

1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea (PubChem CID 60603582) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea
PubChem CID60603582
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea
SMILESCS(=O)(=O)Cc1ccccc1NC(=O)NCc1ccco1
InChIInChI=1S/C14H16N2O4S/c1-21(18,19)10-11-5-2-3-7-13(11)16-14(17)15-9-12-6-4-8-20-12/h2-8H,9-10H2,1H3,(H2,15,16,17)
InChIKeyPRWVXLNWNDUFDZ-UHFFFAOYSA-N
XLogP2.15
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea
CID 52541821
1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea
CID 47129823
1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea
CID 60603716
1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea
CID 60603619
2-[(2-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 22299375
3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid
CID 61189153
1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea
CID 47041330
N-(furan-2-ylmethyl)acetamide
CID 2394850
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771277
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea (CID 60603582) is 1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea is CS(=O)(=O)Cc1ccccc1NC(=O)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea?
The InChIKey is PRWVXLNWNDUFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-21(18,19)10-11-5-2-3-7-13(11)16-14(17)15-9-12-6-4-8-20-12/h2-8H,9-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea?
1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea has a molecular weight of 308.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea is sourced from PubChem (CID 60603582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).