N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide

C19H31N3O3S — CID 99845628

IUPACN-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc1NS(C)(=O)=O
InChIInChI=1S/C19H31N3O3S/c1-13-8-14(2)11-22(10-13)12-16(4)20-19(23)17-7-6-15(3)18(9-17)21-26(5,24)25/h6-7,9,13-14,16,21H,8,10-12H2,1-5H3,(H,20,23)/t13-,14-,16-/m1/s1
InChIKeyMPDINLZRZAIOPP-IIAWOOMASA-N
MW381.54 g/mol
LogP2.46
Rot. Bonds6

About N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide

N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 99845628) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID99845628
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc1NS(C)(=O)=O
InChIInChI=1S/C19H31N3O3S/c1-13-8-14(2)11-22(10-13)12-16(4)20-19(23)17-7-6-15(3)18(9-17)21-26(5,24)25/h6-7,9,13-14,16,21H,8,10-12H2,1-5H3,(H,20,23)/t13-,14-,16-/m1/s1
InChIKeyMPDINLZRZAIOPP-IIAWOOMASA-N
XLogP2.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide with MolForge

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Related Compounds

N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide
CID 60573440
3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide
CID 41448762
N-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-4-(phenylsulfamoyl)benzamide
CID 52741034
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717869
2-[[3-(methanesulfonamido)-4-methylbenzoyl]amino]propanoic acid
CID 119225437
3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 51126883
3-(methanesulfonamido)-4-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 51948213
N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide
CID 52908771
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 49073210
3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 36614257
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 32567523
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 60574382

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide (CID 99845628) is N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide is Cc1ccc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is MPDINLZRZAIOPP-IIAWOOMASA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-13-8-14(2)11-22(10-13)12-16(4)20-19(23)17-7-6-15(3)18(9-17)21-26(5,24)25/h6-7,9,13-14,16,21H,8,10-12H2,1-5H3,(H,20,23)/t13-,14-,16-/m1/s1.
What are the key properties of N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide?
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 381.54 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 99845628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).