(2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C22H28N2O3S — CID 125044122

IUPAC(2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCCc1ccc(N([C@H](C)C(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C22H28N2O3S/c1-4-17-12-14-19(15-13-17)24(28(3,26)27)16(2)22(25)23-21-11-7-9-18-8-5-6-10-20(18)21/h5-6,8,10,12-16,21H,4,7,9,11H2,1-3H3,(H,23,25)/t16-,21+/m1/s1
InChIKeyFHLKEGGNRVOTFG-IERDGZPVSA-N
MW400.54 g/mol
LogP3.60
Rot. Bonds6

About (2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

(2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 125044122) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is (2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID125044122
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name(2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCCc1ccc(N([C@H](C)C(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C22H28N2O3S/c1-4-17-12-14-19(15-13-17)24(28(3,26)27)16(2)22(25)23-21-11-7-9-18-8-5-6-10-20(18)21/h5-6,8,10,12-16,21H,4,7,9,11H2,1-3H3,(H,23,25)/t16-,21+/m1/s1
InChIKeyFHLKEGGNRVOTFG-IERDGZPVSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99950852
(2R)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 93486213
(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 92672083
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 94018656
2-(3-chloro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 46771192
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92673967
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 125044127
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 132668988
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 125044262
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 93488529
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 133170735
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30229779

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of (2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 125044122) is (2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for (2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for (2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is CCc1ccc(N([C@H](C)C(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is FHLKEGGNRVOTFG-IERDGZPVSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-4-17-12-14-19(15-13-17)24(28(3,26)27)16(2)22(25)23-21-11-7-9-18-8-5-6-10-20(18)21/h5-6,8,10,12-16,21H,4,7,9,11H2,1-3H3,(H,23,25)/t16-,21+/m1/s1.
What are the key properties of (2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
(2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 400.54 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 125044122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).