4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide

C19H22N4O2S2 — CID 26397023

IUPAC4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1csc(S(=O)(=O)NCc2nc(N3CCCC3)c3cccc(C)c3n2)c1
InChIInChI=1S/C19H22N4O2S2/c1-13-10-17(26-12-13)27(24,25)20-11-16-21-18-14(2)6-5-7-15(18)19(22-16)23-8-3-4-9-23/h5-7,10,12,20H,3-4,8-9,11H2,1-2H3
InChIKeyLBGHZYPFFNVHRN-UHFFFAOYSA-N
MW402.55 g/mol
LogP3.39
Rot. Bonds5

About 4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide

4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 26397023) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is 4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID26397023
Molecular FormulaC19H22N4O2S2
Molecular Weight402.55 g/mol
Exact Mass402.12
IUPAC Name4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1csc(S(=O)(=O)NCc2nc(N3CCCC3)c3cccc(C)c3n2)c1
InChIInChI=1S/C19H22N4O2S2/c1-13-10-17(26-12-13)27(24,25)20-11-16-21-18-14(2)6-5-7-15(18)19(22-16)23-8-3-4-9-23/h5-7,10,12,20H,3-4,8-9,11H2,1-2H3
InChIKeyLBGHZYPFFNVHRN-UHFFFAOYSA-N
XLogP3.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide (CID 26397023) is 4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide is Cc1csc(S(=O)(=O)NCc2nc(N3CCCC3)c3cccc(C)c3n2)c1.
What is the InChIKey of 4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is LBGHZYPFFNVHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c1-13-10-17(26-12-13)27(24,25)20-11-16-21-18-14(2)6-5-7-15(18)19(22-16)23-8-3-4-9-23/h5-7,10,12,20H,3-4,8-9,11H2,1-2H3.
What are the key properties of 4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide?
4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 402.55 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 26397023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).