N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide

C16H18N4O2S2 — CID 133387693

IUPACN-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCc1cccc2c(NCCN(C)S(=O)(=O)c3cccs3)ncnc12
InChIInChI=1S/C16H18N4O2S2/c1-12-5-3-6-13-15(12)18-11-19-16(13)17-8-9-20(2)24(21,22)14-7-4-10-23-14/h3-7,10-11H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyATBRAUIOZAEMAG-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.73
Rot. Bonds6

About N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide

N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide (PubChem CID 133387693) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
PubChem CID133387693
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC NameN-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCc1cccc2c(NCCN(C)S(=O)(=O)c3cccs3)ncnc12
InChIInChI=1S/C16H18N4O2S2/c1-12-5-3-6-13-15(12)18-11-19-16(13)17-8-9-20(2)24(21,22)14-7-4-10-23-14/h3-7,10-11H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyATBRAUIOZAEMAG-UHFFFAOYSA-N
XLogP2.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide (CID 133387693) is N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide is Cc1cccc2c(NCCN(C)S(=O)(=O)c3cccs3)ncnc12.
What is the InChIKey of N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is ATBRAUIOZAEMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-12-5-3-6-13-15(12)18-11-19-16(13)17-8-9-20(2)24(21,22)14-7-4-10-23-14/h3-7,10-11H,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 133387693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).