N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen

C19H27F3N6O2S2 — CID 158610440

IUPACN-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2ncc(C(F)(F)F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H]
InChIInChI=1S/C19H21F3N6O2S2.3H2/c1-18(2,3)28-32(29,30)15-7-6-13(31-15)17-23-9-11(19(20,21)22)16(25-17)24-14-8-12(26-27-14)10-4-5-10;;;/h6-10,28H,4-5H2,1-3H3,(H2,23,24,25,26,27);3*1H
InChIKeyHWTQKMRMSUAYGP-UHFFFAOYSA-N
MW492.59 g/mol
LogP5.38
Rot. Bonds6

About N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen

N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen (PubChem CID 158610440) has the molecular formula C19H27F3N6O2S2 and a molecular weight of 492.59 g/mol. Its IUPAC name is N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
PubChem CID158610440
Molecular FormulaC19H27F3N6O2S2
Molecular Weight492.59 g/mol
Exact Mass492.16
IUPAC NameN-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2ncc(C(F)(F)F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H]
InChIInChI=1S/C19H21F3N6O2S2.3H2/c1-18(2,3)28-32(29,30)15-7-6-13(31-15)17-23-9-11(19(20,21)22)16(25-17)24-14-8-12(26-27-14)10-4-5-10;;;/h6-10,28H,4-5H2,1-3H3,(H2,23,24,25,26,27);3*1H
InChIKeyHWTQKMRMSUAYGP-UHFFFAOYSA-N
XLogP5.38
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.59
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?
The IUPAC name of N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen (CID 158610440) is N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen.
What is the SMILES notation for N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?
The canonical SMILES for N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen is CC(C)(C)NS(=O)(=O)c1ccc(-c2ncc(C(F)(F)F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].
What is the InChIKey of N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?
The InChIKey is HWTQKMRMSUAYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O2S2.3H2/c1-18(2,3)28-32(29,30)15-7-6-13(31-15)17-23-9-11(19(20,21)22)16(25-17)24-14-8-12(26-27-14)10-4-5-10;;;/h6-10,28H,4-5H2,1-3H3,(H2,23,24,25,26,27);3*1H.
What are the key properties of N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?
N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen has a molecular weight of 492.59 g/mol, XLogP of 5.38, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen is sourced from PubChem (CID 158610440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).