N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide

C19H28N4O3S — CID 51336511

IUPACN,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C19H28N4O3S/c1-14(2)10-18(19(24)22(4)12-16-11-20-23(5)13-16)21-27(25,26)17-8-6-15(3)7-9-17/h6-9,11,13-14,18,21H,10,12H2,1-5H3
InChIKeyARCWFZZMTKHDMO-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.08
Rot. Bonds8

About N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide

N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide (PubChem CID 51336511) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound NameN,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
PubChem CID51336511
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC NameN,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C19H28N4O3S/c1-14(2)10-18(19(24)22(4)12-16-11-20-23(5)13-16)21-27(25,26)17-8-6-15(3)7-9-17/h6-9,11,13-14,18,21H,10,12H2,1-5H3
InChIKeyARCWFZZMTKHDMO-UHFFFAOYSA-N
XLogP2.08
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 60559293
N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 60571425
(2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31852932
(2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 61154150
4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 43172812
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
(2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 30768113
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide
CID 25395998

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide?
The IUPAC name of N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide (CID 51336511) is N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide.
What is the SMILES notation for N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide?
The canonical SMILES for N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)Cc2cnn(C)c2)cc1.
What is the InChIKey of N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide?
The InChIKey is ARCWFZZMTKHDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-14(2)10-18(19(24)22(4)12-16-11-20-23(5)13-16)21-27(25,26)17-8-6-15(3)7-9-17/h6-9,11,13-14,18,21H,10,12H2,1-5H3.
What are the key properties of N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide?
N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide has a molecular weight of 392.53 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 51336511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).