N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide

C17H21N3O3S — CID 32998084

IUPACN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2cccc(C)n2)c1
InChIInChI=1S/C17H21N3O3S/c1-12-7-8-13(2)16(11-12)24(22,23)19-10-9-18-17(21)15-6-4-5-14(3)20-15/h4-8,11,19H,9-10H2,1-3H3,(H,18,21)
InChIKeyFHAMFHXWCBYARW-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.72
Rot. Bonds6

About N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide (PubChem CID 32998084) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide
PubChem CID32998084
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2cccc(C)n2)c1
InChIInChI=1S/C17H21N3O3S/c1-12-7-8-13(2)16(11-12)24(22,23)19-10-9-18-17(21)15-6-4-5-14(3)20-15/h4-8,11,19H,9-10H2,1-3H3,(H,18,21)
InChIKeyFHAMFHXWCBYARW-UHFFFAOYSA-N
XLogP1.72
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.72
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-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
(E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 32996503
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 38496686
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide
CID 46402299
1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea
CID 51084190
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
CID 108574771
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575024
6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 38450854
1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide
CID 78872572
N-(5-iodopentyl)-6-methylpyridine-2-carboxamide
CID 107322243
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide (CID 32998084) is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide is Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2cccc(C)n2)c1.
What is the InChIKey of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide?
The InChIKey is FHAMFHXWCBYARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-7-8-13(2)16(11-12)24(22,23)19-10-9-18-17(21)15-6-4-5-14(3)20-15/h4-8,11,19H,9-10H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide?
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 32998084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).