N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H25NO3S — CID 96531858

IUPACN-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CCCC2)[C@@H](C)CS(C)(=O)=O
InChIInChI=1S/C17H25NO3S/c1-4-18(13(2)12-22(3,20)21)17(19)16-10-9-14-7-5-6-8-15(14)11-16/h9-11,13H,4-8,12H2,1-3H3/t13-/m0/s1
InChIKeyRTPXDFFDLJYIMH-ZDUSSCGKSA-N
MW323.46 g/mol
LogP2.46
Rot. Bonds5

About N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 96531858) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID96531858
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CCCC2)[C@@H](C)CS(C)(=O)=O
InChIInChI=1S/C17H25NO3S/c1-4-18(13(2)12-22(3,20)21)17(19)16-10-9-14-7-5-6-8-15(14)11-16/h9-11,13H,4-8,12H2,1-3H3/t13-/m0/s1
InChIKeyRTPXDFFDLJYIMH-ZDUSSCGKSA-N
XLogP2.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate
CID 61021441
N-(2-hydroxypropyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62334420
5-[ethyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119129552
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43265846
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 113265742
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 18267387
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 42915108
N-ethyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43265847
N-(4-aminobutan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 63225271
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 43160270
N-(2-hydroxyethyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60740767

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 96531858) is N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CCN(C(=O)c1ccc2c(c1)CCCC2)[C@@H](C)CS(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is RTPXDFFDLJYIMH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-4-18(13(2)12-22(3,20)21)17(19)16-10-9-14-7-5-6-8-15(14)11-16/h9-11,13H,4-8,12H2,1-3H3/t13-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 96531858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).