1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide

C17H18N2O3S — CID 2315845

IUPAC1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3ncccc3C)CC2)cc1
InChIInChI=1S/C17H18N2O3S/c1-12-5-7-14(8-6-12)23(21,22)17(9-10-17)16(20)19-15-13(2)4-3-11-18-15/h3-8,11H,9-10H2,1-2H3,(H,18,19,20)
InChIKeyRLTOINPRSSQEND-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.64
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide

1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 2315845) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID2315845
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3ncccc3C)CC2)cc1
InChIInChI=1S/C17H18N2O3S/c1-12-5-7-14(8-6-12)23(21,22)17(9-10-17)16(20)19-15-13(2)4-3-11-18-15/h3-8,11H,9-10H2,1-2H3,(H,18,19,20)
InChIKeyRLTOINPRSSQEND-UHFFFAOYSA-N
XLogP2.64
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide (CID 2315845) is 1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ncccc3C)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is RLTOINPRSSQEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-5-7-14(8-6-12)23(21,22)17(9-10-17)16(20)19-15-13(2)4-3-11-18-15/h3-8,11H,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 2315845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).