1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea

C24H27N3O3S — CID 53318885

IUPAC1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(Cc1ccccc1)Cc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H27N3O3S/c1-19(2)25-24(28)27(17-20-10-5-3-6-11-20)18-21-12-9-13-22(16-21)26-31(29,30)23-14-7-4-8-15-23/h3-16,19,26H,17-18H2,1-2H3,(H,25,28)
InChIKeyBWQIHKWUGIGUMO-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.61
Rot. Bonds8

About 1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea

1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea (PubChem CID 53318885) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea
PubChem CID53318885
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(Cc1ccccc1)Cc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H27N3O3S/c1-19(2)25-24(28)27(17-20-10-5-3-6-11-20)18-21-12-9-13-22(16-21)26-31(29,30)23-14-7-4-8-15-23/h3-16,19,26H,17-18H2,1-2H3,(H,25,28)
InChIKeyBWQIHKWUGIGUMO-UHFFFAOYSA-N
XLogP4.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea?
The IUPAC name of 1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea (CID 53318885) is 1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea.
What is the SMILES notation for 1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea?
The canonical SMILES for 1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea is CC(C)NC(=O)N(Cc1ccccc1)Cc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea?
The InChIKey is BWQIHKWUGIGUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-19(2)25-24(28)27(17-20-10-5-3-6-11-20)18-21-12-9-13-22(16-21)26-31(29,30)23-14-7-4-8-15-23/h3-16,19,26H,17-18H2,1-2H3,(H,25,28).
What are the key properties of 1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea?
1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea has a molecular weight of 437.57 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(benzenesulfonamido)phenyl]methyl]-1-benzyl-3-propan-2-ylurea is sourced from PubChem (CID 53318885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).