(1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide

C17H18N2O3S — CID 96523094

IUPAC(1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESC[C@@]1(C(=O)NS(=O)(=O)c2cccnc2)CCCc2ccccc21
InChIInChI=1S/C17H18N2O3S/c1-17(10-4-7-13-6-2-3-9-15(13)17)16(20)19-23(21,22)14-8-5-11-18-12-14/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyRNASDMMIPZEINN-QGZVFWFLSA-N
MW330.41 g/mol
LogP2.18
Rot. Bonds3

About (1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide

(1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide (PubChem CID 96523094) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name(1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide
PubChem CID96523094
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESC[C@@]1(C(=O)NS(=O)(=O)c2cccnc2)CCCc2ccccc21
InChIInChI=1S/C17H18N2O3S/c1-17(10-4-7-13-6-2-3-9-15(13)17)16(20)19-23(21,22)14-8-5-11-18-12-14/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyRNASDMMIPZEINN-QGZVFWFLSA-N
XLogP2.18
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
CID 139006914
1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 119429829
(1R)-N-hydroxy-1-methyl-2,3-dihydroindene-1-carboxamide
CID 129027598
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]pyridine-3-sulfonamide
CID 90581181
1-methyl-2-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 83214671
1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 119449830
trans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
CID 89298424
2-[2-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242345
1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309102
2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid
CID 119224830
N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide
CID 47331328
N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 111662301

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The IUPAC name of (1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide (CID 96523094) is (1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide.
What is the SMILES notation for (1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The canonical SMILES for (1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide is C[C@@]1(C(=O)NS(=O)(=O)c2cccnc2)CCCc2ccccc21.
What is the InChIKey of (1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The InChIKey is RNASDMMIPZEINN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-17(10-4-7-13-6-2-3-9-15(13)17)16(20)19-23(21,22)14-8-5-11-18-12-14/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
(1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide is sourced from PubChem (CID 96523094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).