3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea

C15H23N3O5S — CID 2328338

IUPAC3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea
SMILESCCCCCN(C(=O)NC(=O)Nc1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C15H23N3O5S/c1-4-5-8-11-18(24(3,21)22)15(20)17-14(19)16-12-9-6-7-10-13(12)23-2/h6-7,9-10H,4-5,8,11H2,1-3H3,(H2,16,17,19,20)
InChIKeyBXJHDVZRAOKAHV-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.39
Rot. Bonds7

About 3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea

3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea (PubChem CID 2328338) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea
PubChem CID2328338
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Name3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea
SMILESCCCCCN(C(=O)NC(=O)Nc1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C15H23N3O5S/c1-4-5-8-11-18(24(3,21)22)15(20)17-14(19)16-12-9-6-7-10-13(12)23-2/h6-7,9-10H,4-5,8,11H2,1-3H3,(H2,16,17,19,20)
InChIKeyBXJHDVZRAOKAHV-UHFFFAOYSA-N
XLogP2.39
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea?
The IUPAC name of 3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea (CID 2328338) is 3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea.
What is the SMILES notation for 3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea?
The canonical SMILES for 3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea is CCCCCN(C(=O)NC(=O)Nc1ccccc1OC)S(C)(=O)=O.
What is the InChIKey of 3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea?
The InChIKey is BXJHDVZRAOKAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-4-5-8-11-18(24(3,21)22)15(20)17-14(19)16-12-9-6-7-10-13(12)23-2/h6-7,9-10H,4-5,8,11H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea?
3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea has a molecular weight of 357.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)carbamoyl]-1-methylsulfonyl-1-pentylurea is sourced from PubChem (CID 2328338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).