1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea

C20H26N2O3S — CID 177377793

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea
SMILESCc1cccc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C20H26N2O3S/c1-13(2)17-10-7-11-18(14(3)4)19(17)21-20(23)22-26(24,25)16-9-6-8-15(5)12-16/h6-14H,1-5H3,(H2,21,22,23)
InChIKeyWGYNPCKTWMFAON-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.75
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea

1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea (PubChem CID 177377793) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea
PubChem CID177377793
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea
SMILESCc1cccc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C20H26N2O3S/c1-13(2)17-10-7-11-18(14(3)4)19(17)21-20(23)22-26(24,25)16-9-6-8-15(5)12-16/h6-14H,1-5H3,(H2,21,22,23)
InChIKeyWGYNPCKTWMFAON-UHFFFAOYSA-N
XLogP4.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea (CID 177377793) is 1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea is Cc1cccc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)c1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea?
The InChIKey is WGYNPCKTWMFAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-13(2)17-10-7-11-18(14(3)4)19(17)21-20(23)22-26(24,25)16-9-6-8-15(5)12-16/h6-14H,1-5H3,(H2,21,22,23).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea?
1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea has a molecular weight of 374.51 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(3-methylphenyl)sulfonylurea is sourced from PubChem (CID 177377793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).