1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea

C32H37N5O4S2 — CID 11955290

IUPAC1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)n2)cc1
InChIInChI=1S/C32H37N5O4S2/c1-43(39,40)35-28-14-12-27(13-15-28)30-24-42-31(33-30)34-32(38)37(19-18-36-20-22-41-23-21-36)17-16-29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,24,29,35H,16-23H2,1H3,(H,33,34,38)
InChIKeyYWNCCNKYQMJDTQ-UHFFFAOYSA-N
MW619.81 g/mol
LogP5.57
Rot. Bonds12

About 1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea

1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea (PubChem CID 11955290) has the molecular formula C32H37N5O4S2 and a molecular weight of 619.81 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea
PubChem CID11955290
Molecular FormulaC32H37N5O4S2
Molecular Weight619.81 g/mol
Exact Mass619.23
IUPAC Name1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)n2)cc1
InChIInChI=1S/C32H37N5O4S2/c1-43(39,40)35-28-14-12-27(13-15-28)30-24-42-31(33-30)34-32(38)37(19-18-36-20-22-41-23-21-36)17-16-29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,24,29,35H,16-23H2,1H3,(H,33,34,38)
InChIKeyYWNCCNKYQMJDTQ-UHFFFAOYSA-N
XLogP5.57
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.81
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea (CID 11955290) is 1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea is CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)n2)cc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is YWNCCNKYQMJDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O4S2/c1-43(39,40)35-28-14-12-27(13-15-28)30-24-42-31(33-30)34-32(38)37(19-18-36-20-22-41-23-21-36)17-16-29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,24,29,35H,16-23H2,1H3,(H,33,34,38).
What are the key properties of 1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea?
1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 619.81 g/mol, XLogP of 5.57, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 11955290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).