1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea

C17H27N3O3S — CID 113069568

IUPAC1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea
SMILESCc1cccc(C(C)C)c1N(CCNC(=O)NC1CC1)S(C)(=O)=O
InChIInChI=1S/C17H27N3O3S/c1-12(2)15-7-5-6-13(3)16(15)20(24(4,22)23)11-10-18-17(21)19-14-8-9-14/h5-7,12,14H,8-11H2,1-4H3,(H2,18,19,21)
InChIKeyNHCBHUUOCUWLCI-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.35
Rot. Bonds7

About 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea

1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea (PubChem CID 113069568) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea
PubChem CID113069568
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea
SMILESCc1cccc(C(C)C)c1N(CCNC(=O)NC1CC1)S(C)(=O)=O
InChIInChI=1S/C17H27N3O3S/c1-12(2)15-7-5-6-13(3)16(15)20(24(4,22)23)11-10-18-17(21)19-14-8-9-14/h5-7,12,14H,8-11H2,1-4H3,(H2,18,19,21)
InChIKeyNHCBHUUOCUWLCI-UHFFFAOYSA-N
XLogP2.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
CID 113143249
2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide
CID 113069547
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068580
N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide
CID 113069558
1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea
CID 113068483
3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide
CID 113069555
N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide
CID 113156587
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146226
1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea
CID 113071523
1-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]-3-cyclopropylurea
CID 113071624
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069288

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea (CID 113069568) is 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea is Cc1cccc(C(C)C)c1N(CCNC(=O)NC1CC1)S(C)(=O)=O.
What is the InChIKey of 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea?
The InChIKey is NHCBHUUOCUWLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-12(2)15-7-5-6-13(3)16(15)20(24(4,22)23)11-10-18-17(21)19-14-8-9-14/h5-7,12,14H,8-11H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea?
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea has a molecular weight of 353.49 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea is sourced from PubChem (CID 113069568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).