N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide

C14H24N4O3S — CID 110335603

IUPACN-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)NC1CCCCC1
InChIInChI=1S/C14H24N4O3S/c1-10-14(11(2)17-16-10)22(20,21)18(3)9-13(19)15-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyRIKOAXWCQAKTTN-UHFFFAOYSA-N
MW328.44 g/mol
LogP1.10
Rot. Bonds5

About N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide

N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide (PubChem CID 110335603) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
PubChem CID110335603
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)NC1CCCCC1
InChIInChI=1S/C14H24N4O3S/c1-10-14(11(2)17-16-10)22(20,21)18(3)9-13(19)15-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyRIKOAXWCQAKTTN-UHFFFAOYSA-N
XLogP1.10
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 110335607
N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 110335663
N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335718
N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60700136
N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950838
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 110335689
N-(3,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335735
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 2640186
N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582836
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110335714

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide (CID 110335603) is N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide?
The InChIKey is RIKOAXWCQAKTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-10-14(11(2)17-16-10)22(20,21)18(3)9-13(19)15-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide?
N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide has a molecular weight of 328.44 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 110335603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).