1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea

C14H21N3O3S — CID 113068580

IUPAC1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea
SMILESCc1ccccc1N(CCNC(=O)NC1CC1)S(C)(=O)=O
InChIInChI=1S/C14H21N3O3S/c1-11-5-3-4-6-13(11)17(21(2,19)20)10-9-15-14(18)16-12-7-8-12/h3-6,12H,7-10H2,1-2H3,(H2,15,16,18)
InChIKeyMPAUWVOCVYPYMB-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.22
Rot. Bonds6

About 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea

1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea (PubChem CID 113068580) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea
PubChem CID113068580
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea
SMILESCc1ccccc1N(CCNC(=O)NC1CC1)S(C)(=O)=O
InChIInChI=1S/C14H21N3O3S/c1-11-5-3-4-6-13(11)17(21(2,19)20)10-9-15-14(18)16-12-7-8-12/h3-6,12H,7-10H2,1-2H3,(H2,15,16,18)
InChIKeyMPAUWVOCVYPYMB-UHFFFAOYSA-N
XLogP1.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-cyano-N-methylsulfonylanilino)ethyl]-3-cyclopropylurea
CID 113072205
1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea
CID 113068483
1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068572
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea
CID 113069568
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
1-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]-3-cyclopropylurea
CID 113071624
1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea
CID 113071523
3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544
1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068655
N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142557
1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113070684
1-cyclopropyl-3-[2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)ethyl]urea
CID 113071369

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea (CID 113068580) is 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea is Cc1ccccc1N(CCNC(=O)NC1CC1)S(C)(=O)=O.
What is the InChIKey of 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea?
The InChIKey is MPAUWVOCVYPYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-11-5-3-4-6-13(11)17(21(2,19)20)10-9-15-14(18)16-12-7-8-12/h3-6,12H,7-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea?
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea has a molecular weight of 311.41 g/mol, XLogP of 1.22, 6 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-methylsulfonylanilino)ethyl]urea is sourced from PubChem (CID 113068580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).