2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide

C16H25N3O4S — CID 120984521

IUPAC2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCOCC(N)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N3O4S/c1-12-3-5-14(6-4-12)24(21,22)19-9-7-13(8-10-19)18-16(20)15(17)11-23-2/h3-6,13,15H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyNMSOGXVIDGZYRR-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.24
Rot. Bonds6

About 2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide

2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide (PubChem CID 120984521) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
PubChem CID120984521
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCOCC(N)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N3O4S/c1-12-3-5-14(6-4-12)24(21,22)19-9-7-13(8-10-19)18-16(20)15(17)11-23-2/h3-6,13,15H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyNMSOGXVIDGZYRR-UHFFFAOYSA-N
XLogP0.24
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide
CID 119699508
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 120587685
benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 162415610
methyl (2R)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]propanoate
CID 129352639
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143238
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
methyl 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetate
CID 11609299
4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 119699481
2-amino-2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide
CID 119699520
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azocane-1-carboxamide
CID 78833850

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide (CID 120984521) is 2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide is COCC(N)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
The InChIKey is NMSOGXVIDGZYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-12-3-5-14(6-4-12)24(21,22)19-9-7-13(8-10-19)18-16(20)15(17)11-23-2/h3-6,13,15H,7-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide has a molecular weight of 355.46 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 120984521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).