3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea

C25H29N3O3S — CID 43074821

IUPAC3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N3O3S/c1-19(20-13-15-23(16-14-20)32(26,30)31)28(2)25(29)27-18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,19,24H,17-18H2,1-2H3,(H,27,29)(H2,26,30,31)
InChIKeyCFUYBTRERUJNHO-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.26
Rot. Bonds8

About 3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea

3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 43074821) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
PubChem CID43074821
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC Name3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N3O3S/c1-19(20-13-15-23(16-14-20)32(26,30)31)28(2)25(29)27-18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,19,24H,17-18H2,1-2H3,(H,27,29)(H2,26,30,31)
InChIKeyCFUYBTRERUJNHO-UHFFFAOYSA-N
XLogP4.26
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-[(1S)-1-(4-sulfamoylphenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 94117936
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 42957502
3-amino-N,2-dimethyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 119689419
3-butyl-1-methyl-1-(1-phenylethyl)urea
CID 102439407
3-benzyl-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 134040552
3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86807582
1-methyl-3-(2-phenylsulfanylethyl)-1-[(1R)-1-(4-sulfamoylphenyl)ethyl]thiourea
CID 9283811
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
1-methyl-3-(4-methylsulfonylphenyl)-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55695530
(E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 17480995
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea (CID 43074821) is 3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea is CC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is CFUYBTRERUJNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-19(20-13-15-23(16-14-20)32(26,30)31)28(2)25(29)27-18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,19,24H,17-18H2,1-2H3,(H,27,29)(H2,26,30,31).
What are the key properties of 3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea?
3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 451.59 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 43074821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).