4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

C20H23NO3S — CID 9395957

IUPAC4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H23NO3S/c1-14(17-8-7-15-5-3-4-6-18(15)13-17)21-20(22)16-9-11-19(12-10-16)25(2,23)24/h7-14H,3-6H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyRCQGKXFRPXBZJR-CQSZACIVSA-N
MW357.48 g/mol
LogP3.46
Rot. Bonds4

About 4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (PubChem CID 9395957) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
PubChem CID9395957
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H23NO3S/c1-14(17-8-7-15-5-3-4-6-18(15)13-17)21-20(22)16-9-11-19(12-10-16)25(2,23)24/h7-14H,3-6H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyRCQGKXFRPXBZJR-CQSZACIVSA-N
XLogP3.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 133188763
4-(benzenesulfonylmethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 55756465
4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133191869
4-(methanesulfonamido)-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190622
2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 24688126
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133188789
4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 78808360
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 141069790
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 133188888
3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 28549066

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The IUPAC name of 4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (CID 9395957) is 4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The canonical SMILES for 4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The InChIKey is RCQGKXFRPXBZJR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-14(17-8-7-15-5-3-4-6-18(15)13-17)21-20(22)16-9-11-19(12-10-16)25(2,23)24/h7-14H,3-6H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide has a molecular weight of 357.48 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is sourced from PubChem (CID 9395957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).