1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide

C19H23N3O4S — CID 1093333

IUPAC1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide
SMILESCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O4S/c1-21(13-18(23)22-10-8-15(9-11-22)19(20)24)27(25,26)17-7-6-14-4-2-3-5-16(14)12-17/h2-7,12,15H,8-11,13H2,1H3,(H2,20,24)
InChIKeyVLRDBIVOEDAKGU-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.18
Rot. Bonds5

About 1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide

1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide (PubChem CID 1093333) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide
PubChem CID1093333
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide
SMILESCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O4S/c1-21(13-18(23)22-10-8-15(9-11-22)19(20)24)27(25,26)17-7-6-14-4-2-3-5-16(14)12-17/h2-7,12,15H,8-11,13H2,1H3,(H2,20,24)
InChIKeyVLRDBIVOEDAKGU-UHFFFAOYSA-N
XLogP1.18
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-{(3S)-1-[(1S)-1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide
CID 23646130
6-chloro-N-[(3R)-2-oxo-1-[(2S)-1-oxo-1-(piperidin-1-yl)propan-2-yl]pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 10183250
6-chloro-N-[(3R)-2-oxo-1-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23646137
6-Chloro-N-{(3S)-1-[(1R)-1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide
CID 23646138
N-Hydroxy-N^2^-(3-Methylbutyl)-N^2^-(Naphthalen-2-Ylsulfonyl)-D-Valinamide
CID 53389286
Cyclohexyl(4-(naphthalen-1-ylsulfonyl)piperazin-1-yl)methanone
CID 3868445
Cyclohexyl(2,2-dimethyl-4-(naphthalen-1-ylsulfonyl)piperazin-1-yl)methanone
CID 24944801
(2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide
CID 44596287
6-methyl-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 16124699
(2S)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]-2-(naphthalen-1-ylsulfonylamino)pentanamide
CID 44356612
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(naphthalen-1-ylsulfonylamino)pentanamide
CID 44356626
N-ethyl-1-(2-naphthylsulfonyl)prolinamide
CID 6460526

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide (CID 1093333) is 1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide is CN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide?
The InChIKey is VLRDBIVOEDAKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-21(13-18(23)22-10-8-15(9-11-22)19(20)24)27(25,26)17-7-6-14-4-2-3-5-16(14)12-17/h2-7,12,15H,8-11,13H2,1H3,(H2,20,24).
What are the key properties of 1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide?
1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 1093333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).