N-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

C18H26N4O2S — CID 50950024

IUPACN-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C(C)(C)NC(=O)c1cccs1
InChIInChI=1S/C18H26N4O2S/c1-17(2,3)14-10-12(20-21-14)11-22(6)16(24)18(4,5)19-15(23)13-8-7-9-25-13/h7-10H,11H2,1-6H3,(H,19,23)(H,20,21)
InChIKeyKWDINUJUGMZFQI-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.94
Rot. Bonds5

About N-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 50950024) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID50950024
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C(C)(C)NC(=O)c1cccs1
InChIInChI=1S/C18H26N4O2S/c1-17(2,3)14-10-12(20-21-14)11-22(6)16(24)18(4,5)19-15(23)13-8-7-9-25-13/h7-10H,11H2,1-6H3,(H,19,23)(H,20,21)
InChIKeyKWDINUJUGMZFQI-UHFFFAOYSA-N
XLogP2.94
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 50950024) is N-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C(C)(C)NC(=O)c1cccs1.
What is the InChIKey of N-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is KWDINUJUGMZFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-17(2,3)14-10-12(20-21-14)11-22(6)16(24)18(4,5)19-15(23)13-8-7-9-25-13/h7-10H,11H2,1-6H3,(H,19,23)(H,20,21).
What are the key properties of N-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 50950024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).