N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide

C14H20N2O3S — CID 33145197

IUPACN-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C2CC2)cc1C
InChIInChI=1S/C14H20N2O3S/c1-10-3-6-13(9-11(10)2)20(18,19)16-8-7-15-14(17)12-4-5-12/h3,6,9,12,16H,4-5,7-8H2,1-2H3,(H,15,17)
InChIKeySJTRCSKYYLQLNW-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.11
Rot. Bonds6

About N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide

N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide (PubChem CID 33145197) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
PubChem CID33145197
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C2CC2)cc1C
InChIInChI=1S/C14H20N2O3S/c1-10-3-6-13(9-11(10)2)20(18,19)16-8-7-15-14(17)12-4-5-12/h3,6,9,12,16H,4-5,7-8H2,1-2H3,(H,15,17)
InChIKeySJTRCSKYYLQLNW-UHFFFAOYSA-N
XLogP1.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672481
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 108573631
3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573891
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108572255
N-[2-[[4-(cyanomethyl)phenyl]sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115671890
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571108
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571113
N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 47113517
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide
CID 134039501
1-N,1-N-dimethyl-4-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1,4-dicarboxamide
CID 55761983

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide (CID 33145197) is N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide is Cc1ccc(S(=O)(=O)NCCNC(=O)C2CC2)cc1C.
What is the InChIKey of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is SJTRCSKYYLQLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-3-6-13(9-11(10)2)20(18,19)16-8-7-15-14(17)12-4-5-12/h3,6,9,12,16H,4-5,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 33145197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).