2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide

C18H25N5O3S — CID 120668801

IUPAC2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
SMILESCc1ccc(C(N)C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1
InChIInChI=1S/C18H25N5O3S/c1-13-3-5-14(6-4-13)17(19)18(24)21-15-7-9-23(10-8-15)27(25,26)16-11-20-22(2)12-16/h3-6,11-12,15,17H,7-10,19H2,1-2H3,(H,21,24)
InChIKeyVDENRRPWNOVVDM-UHFFFAOYSA-N
MW391.50 g/mol
LogP0.70
Rot. Bonds5

About 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide

2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 120668801) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
PubChem CID120668801
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
SMILESCc1ccc(C(N)C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1
InChIInChI=1S/C18H25N5O3S/c1-13-3-5-14(6-4-13)17(19)18(24)21-15-7-9-23(10-8-15)27(25,26)16-11-20-22(2)12-16/h3-6,11-12,15,17H,7-10,19H2,1-2H3,(H,21,24)
InChIKeyVDENRRPWNOVVDM-UHFFFAOYSA-N
XLogP0.70
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120669080
5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide
CID 120635627
2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride
CID 119945720
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 106151639
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669508
2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 120668675
2-amino-2-(4-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide;dihydrochloride
CID 120669407
(2R)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
CID 97215975
N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
CID 75373223
2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120670008
2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 120984521

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide (CID 120668801) is 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide is Cc1ccc(C(N)C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is VDENRRPWNOVVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-13-3-5-14(6-4-13)17(19)18(24)21-15-7-9-23(10-8-15)27(25,26)16-11-20-22(2)12-16/h3-6,11-12,15,17H,7-10,19H2,1-2H3,(H,21,24).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 391.50 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 120668801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).