3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C19H22N2O3S — CID 94012657

IUPAC3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H22N2O3S/c1-13-15(10-6-11-17(13)21-25(2,23)24)19(22)20-18-12-5-8-14-7-3-4-9-16(14)18/h3-4,6-7,9-11,18,21H,5,8,12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyBVCQXXSODCLQMM-SFHVURJKSA-N
MW358.46 g/mol
LogP3.17
Rot. Bonds4

About 3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 94012657) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID94012657
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H22N2O3S/c1-13-15(10-6-11-17(13)21-25(2,23)24)19(22)20-18-12-5-8-14-7-3-4-9-16(14)18/h3-4,6-7,9-11,18,21H,5,8,12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyBVCQXXSODCLQMM-SFHVURJKSA-N
XLogP3.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92678157
2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 60682216
2-ethylsulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 8777527
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
5-amino-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 62304912
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
1-[2-(methanesulfonamido)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 134006236
2-methyl-5-piperidin-1-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2361857
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide
CID 9397114

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 94012657) is 3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is BVCQXXSODCLQMM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-15(10-6-11-17(13)21-25(2,23)24)19(22)20-18-12-5-8-14-7-3-4-9-16(14)18/h3-4,6-7,9-11,18,21H,5,8,12H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of 3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 94012657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).