N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C19H23N5O3S2 — CID 56550762

IUPACN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H23N5O3S2/c1-19(2,3)14-12-16(24(22-14)15-8-5-6-10-20-15)21-17(25)13-23(4)29(26,27)18-9-7-11-28-18/h5-12H,13H2,1-4H3,(H,21,25)
InChIKeyCKCSMHLHDKGKAM-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.89
Rot. Bonds6

About N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 56550762) has the molecular formula C19H23N5O3S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID56550762
Molecular FormulaC19H23N5O3S2
Molecular Weight433.56 g/mol
Exact Mass433.12
IUPAC NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H23N5O3S2/c1-19(2,3)14-12-16(24(22-14)15-8-5-6-10-20-15)21-17(25)13-23(4)29(26,27)18-9-7-11-28-18/h5-12H,13H2,1-4H3,(H,21,25)
InChIKeyCKCSMHLHDKGKAM-UHFFFAOYSA-N
XLogP2.89
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide
CID 56531306
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 56551145
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 56531536
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 16559091
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56531304
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
CID 56531701
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide
CID 99787256
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 56550822
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide
CID 56550449
2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56550479

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 56550762) is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is CKCSMHLHDKGKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S2/c1-19(2,3)14-12-16(24(22-14)15-8-5-6-10-20-15)21-17(25)13-23(4)29(26,27)18-9-7-11-28-18/h5-12H,13H2,1-4H3,(H,21,25).
What are the key properties of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 433.56 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 56550762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).