2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide

C19H23N3O4S — CID 119892827

IUPAC2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide
SMILESCS(=O)(=O)c1cccc(Oc2ncccc2CNC(=O)CNCC2CC2)c1
InChIInChI=1S/C19H23N3O4S/c1-27(24,25)17-6-2-5-16(10-17)26-19-15(4-3-9-21-19)12-22-18(23)13-20-11-14-7-8-14/h2-6,9-10,14,20H,7-8,11-13H2,1H3,(H,22,23)
InChIKeyLCDUHZKMDPCZLI-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.89
Rot. Bonds9

About 2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide

2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide (PubChem CID 119892827) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide
PubChem CID119892827
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide
SMILESCS(=O)(=O)c1cccc(Oc2ncccc2CNC(=O)CNCC2CC2)c1
InChIInChI=1S/C19H23N3O4S/c1-27(24,25)17-6-2-5-16(10-17)26-19-15(4-3-9-21-19)12-22-18(23)13-20-11-14-7-8-14/h2-6,9-10,14,20H,7-8,11-13H2,1H3,(H,22,23)
InChIKeyLCDUHZKMDPCZLI-UHFFFAOYSA-N
XLogP1.89
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119892844
4-amino-3-methoxy-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 120597184
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 61375381
3-hydroxy-3-methyl-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 146124282
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119847870
2-(cyclopropylmethylamino)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119850355
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119892797
N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119892786
2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 60859149
2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride
CID 119849007

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide (CID 119892827) is 2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide is CS(=O)(=O)c1cccc(Oc2ncccc2CNC(=O)CNCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide?
The InChIKey is LCDUHZKMDPCZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-27(24,25)17-6-2-5-16(10-17)26-19-15(4-3-9-21-19)12-22-18(23)13-20-11-14-7-8-14/h2-6,9-10,14,20H,7-8,11-13H2,1H3,(H,22,23).
What are the key properties of 2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide?
2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 119892827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).