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

C21H26N2O3S — CID 92672083

IUPAC(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
SMILESCC[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H26N2O3S/c1-3-20(23(27(2,25)26)17-12-5-4-6-13-17)21(24)22-19-15-9-11-16-10-7-8-14-18(16)19/h4-8,10,12-14,19-20H,3,9,11,15H2,1-2H3,(H,22,24)/t19-,20+/m1/s1
InChIKeyCNIPMEHEZTUFAF-UXHICEINSA-N
MW386.52 g/mol
LogP3.42
Rot. Bonds6

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

(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide (PubChem CID 92672083) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
PubChem CID92672083
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
SMILESCC[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H26N2O3S/c1-3-20(23(27(2,25)26)17-12-5-4-6-13-17)21(24)22-19-15-9-11-16-10-7-8-14-18(16)19/h4-8,10,12-14,19-20H,3,9,11,15H2,1-2H3,(H,22,24)/t19-,20+/m1/s1
InChIKeyCNIPMEHEZTUFAF-UXHICEINSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 133170735
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 125044262
(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99950852
(2R)-2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 125044122
(2R)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 93486213
(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
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 125044127
(2S)-2-propan-2-ylsulfonyl-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 94809577
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161744
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 93488529
(2R)-2-(3-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 28636778

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The IUPAC name of (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide (CID 92672083) is (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.
What is the SMILES notation for (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The canonical SMILES for (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide is CC[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The InChIKey is CNIPMEHEZTUFAF-UXHICEINSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-20(23(27(2,25)26)17-12-5-4-6-13-17)21(24)22-19-15-9-11-16-10-7-8-14-18(16)19/h4-8,10,12-14,19-20H,3,9,11,15H2,1-2H3,(H,22,24)/t19-,20+/m1/s1.
What are the key properties of (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide has a molecular weight of 386.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide is sourced from PubChem (CID 92672083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).