1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea

C15H25N3O4S — CID 113070637

IUPAC1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
SMILESCCOc1ccc(N(CCNC(=O)NC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H25N3O4S/c1-5-22-14-8-6-13(7-9-14)18(23(4,20)21)11-10-16-15(19)17-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H2,16,17,19)
InChIKeyAGWIMZXCJPRQOA-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.56
Rot. Bonds8

About 1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea

1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea (PubChem CID 113070637) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
PubChem CID113070637
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
SMILESCCOc1ccc(N(CCNC(=O)NC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H25N3O4S/c1-5-22-14-8-6-13(7-9-14)18(23(4,20)21)11-10-16-15(19)17-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H2,16,17,19)
InChIKeyAGWIMZXCJPRQOA-UHFFFAOYSA-N
XLogP1.56
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
CID 113070592
1-[2-(4-cyano-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113072346
tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070634
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 113144856
N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 53286903
1-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea
CID 113071711
1-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113070206
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide
CID 113070611
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113070641
ethyl 2-[methylsulfonyl-[2-(propan-2-ylcarbamoylamino)ethyl]amino]benzoate
CID 113072144
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647
1-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113072449

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea (CID 113070637) is 1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea is CCOc1ccc(N(CCNC(=O)NC(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea?
The InChIKey is AGWIMZXCJPRQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-5-22-14-8-6-13(7-9-14)18(23(4,20)21)11-10-16-15(19)17-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea?
1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea has a molecular weight of 343.45 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 113070637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).