N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide

C15H22N2O4S — CID 108573631

IUPACN-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C15H22N2O4S/c1-10-8-13(21-3)14(9-11(10)2)22(19,20)17-7-6-16-15(18)12-4-5-12/h8-9,12,17H,4-7H2,1-3H3,(H,16,18)
InChIKeyGVTPQBVUBYXWTA-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.12
Rot. Bonds7

About N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide

N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide (PubChem CID 108573631) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
PubChem CID108573631
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C15H22N2O4S/c1-10-8-13(21-3)14(9-11(10)2)22(19,20)17-7-6-16-15(18)12-4-5-12/h8-9,12,17H,4-7H2,1-3H3,(H,16,18)
InChIKeyGVTPQBVUBYXWTA-UHFFFAOYSA-N
XLogP1.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 47113517
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide
CID 108575099
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35304540
4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 108573220
3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108574284
N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
CID 112995017
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide
CID 108573477
2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887463
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20970523
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572092

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide (CID 108573631) is N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide is COc1cc(C)c(C)cc1S(=O)(=O)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is GVTPQBVUBYXWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-10-8-13(21-3)14(9-11(10)2)22(19,20)17-7-6-16-15(18)12-4-5-12/h8-9,12,17H,4-7H2,1-3H3,(H,16,18).
What are the key properties of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 108573631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).