N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C20H24N2O3S — CID 60544539

IUPACN-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCCC2)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C20H24N2O3S/c1-14(18-9-5-6-10-19(18)22-26(2,24)25)21-20(23)17-12-11-15-7-3-4-8-16(15)13-17/h5-6,9-14,22H,3-4,7-8H2,1-2H3,(H,21,23)
InChIKeyLRDUTBIYJWXOPP-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.43
Rot. Bonds5

About N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 60544539) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID60544539
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCCC2)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C20H24N2O3S/c1-14(18-9-5-6-10-19(18)22-26(2,24)25)21-20(23)17-12-11-15-7-3-4-8-16(15)13-17/h5-6,9-14,22H,3-4,7-8H2,1-2H3,(H,21,23)
InChIKeyLRDUTBIYJWXOPP-UHFFFAOYSA-N
XLogP3.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methanesulfonamido)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 35368490
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 55699794
4-(methanesulfonamido)-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190622
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 42960995
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704928
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-propoxybenzamide
CID 55933853
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9262557
2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 55768874
N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide
CID 96528827
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
CID 94210718
N-[(1S)-1-(4-ethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706676

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 60544539) is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC(NC(=O)c1ccc2c(c1)CCCC2)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is LRDUTBIYJWXOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14(18-9-5-6-10-19(18)22-26(2,24)25)21-20(23)17-12-11-15-7-3-4-8-16(15)13-17/h5-6,9-14,22H,3-4,7-8H2,1-2H3,(H,21,23).
What are the key properties of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 60544539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).