5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide

C16H18N4O2S2 — CID 133395378

IUPAC5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCc1ccc2ncnc(NCCNS(=O)(=O)c3ccc(C)s3)c2c1
InChIInChI=1S/C16H18N4O2S2/c1-11-3-5-14-13(9-11)16(19-10-18-14)17-7-8-20-24(21,22)15-6-4-12(2)23-15/h3-6,9-10,20H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyPNWLDYZPRWNFRD-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.70
Rot. Bonds6

About 5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide

5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide (PubChem CID 133395378) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
PubChem CID133395378
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC Name5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCc1ccc2ncnc(NCCNS(=O)(=O)c3ccc(C)s3)c2c1
InChIInChI=1S/C16H18N4O2S2/c1-11-3-5-14-13(9-11)16(19-10-18-14)17-7-8-20-24(21,22)15-6-4-12(2)23-15/h3-6,9-10,20H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyPNWLDYZPRWNFRD-UHFFFAOYSA-N
XLogP2.70
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide (CID 133395378) is 5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide is Cc1ccc2ncnc(NCCNS(=O)(=O)c3ccc(C)s3)c2c1.
What is the InChIKey of 5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is PNWLDYZPRWNFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-11-3-5-14-13(9-11)16(19-10-18-14)17-7-8-20-24(21,22)15-6-4-12(2)23-15/h3-6,9-10,20H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 133395378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).