N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide

C20H25N5O2S2 — CID 58169181

IUPACN-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H25N5O2S2/c1-12-5-8-14(16-9-10-18(28-16)29(26,27)25-20(2,3)4)21-19(12)22-17-11-15(23-24-17)13-6-7-13/h5,8-11,13,25H,6-7H2,1-4H3,(H2,21,22,23,24)
InChIKeyUITIKMXPTINXRZ-UHFFFAOYSA-N
MW431.59 g/mol
LogP4.54
Rot. Bonds6

About N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide

N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 58169181) has the molecular formula C20H25N5O2S2 and a molecular weight of 431.59 g/mol. Its IUPAC name is N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID58169181
Molecular FormulaC20H25N5O2S2
Molecular Weight431.59 g/mol
Exact Mass431.14
IUPAC NameN-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H25N5O2S2/c1-12-5-8-14(16-9-10-18(28-16)29(26,27)25-20(2,3)4)21-19(12)22-17-11-15(23-24-17)13-6-7-13/h5,8-11,13,25H,6-7H2,1-4H3,(H2,21,22,23,24)
InChIKeyUITIKMXPTINXRZ-UHFFFAOYSA-N
XLogP4.54
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.59
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide (CID 58169181) is N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide is Cc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is UITIKMXPTINXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S2/c1-12-5-8-14(16-9-10-18(28-16)29(26,27)25-20(2,3)4)21-19(12)22-17-11-15(23-24-17)13-6-7-13/h5,8-11,13,25H,6-7H2,1-4H3,(H2,21,22,23,24).
What are the key properties of N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide?
N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 431.59 g/mol, XLogP of 4.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 58169181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).