1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea

C19H25N3O4S — CID 113070721

IUPAC1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea
SMILESCC(C)Oc1ccccc1N(CCNC(=O)Nc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H25N3O4S/c1-15(2)26-18-12-8-7-11-17(18)22(27(3,24)25)14-13-20-19(23)21-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H2,20,21,23)
InChIKeyHAZGFQFGLCKMTI-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.06
Rot. Bonds8

About 1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea

1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea (PubChem CID 113070721) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea
PubChem CID113070721
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea
SMILESCC(C)Oc1ccccc1N(CCNC(=O)Nc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H25N3O4S/c1-15(2)26-18-12-8-7-11-17(18)22(27(3,24)25)14-13-20-19(23)21-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H2,20,21,23)
InChIKeyHAZGFQFGLCKMTI-UHFFFAOYSA-N
XLogP3.06
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068572
1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069700
methyl 2-[methylsulfonyl-[2-(phenylcarbamoylamino)ethyl]amino]benzoate
CID 113071161
1-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069597
1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068475
N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145028
N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155378
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070548
N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155322
1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069900
2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide
CID 113155347
N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145043

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea (CID 113070721) is 1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea is CC(C)Oc1ccccc1N(CCNC(=O)Nc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea?
The InChIKey is HAZGFQFGLCKMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-15(2)26-18-12-8-7-11-17(18)22(27(3,24)25)14-13-20-19(23)21-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea?
1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea has a molecular weight of 391.49 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea is sourced from PubChem (CID 113070721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).