2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide

C17H20N4O2S2 — CID 133387842

IUPAC2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCNc2ncnc3c(C)cccc23)c(C)s1
InChIInChI=1S/C17H20N4O2S2/c1-11-5-4-6-14-16(11)19-10-20-17(14)18-7-8-21-25(22,23)15-9-12(2)24-13(15)3/h4-6,9-10,21H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyWAWYRMKWPNJFDU-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.01
Rot. Bonds6

About 2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide

2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide (PubChem CID 133387842) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide
PubChem CID133387842
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Name2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCNc2ncnc3c(C)cccc23)c(C)s1
InChIInChI=1S/C17H20N4O2S2/c1-11-5-4-6-14-16(11)19-10-20-17(14)18-7-8-21-25(22,23)15-9-12(2)24-13(15)3/h4-6,9-10,21H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyWAWYRMKWPNJFDU-UHFFFAOYSA-N
XLogP3.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-((8-Phenylthieno(2,3-h)quinazolin-2-yl)amino)benzenesulfonamide
CID 53245699
4-[4-(4-Methylphenyl)sulfonyl-1-piperazinyl]-2-thiophen-2-ylquinazoline
CID 26450846
N-(2-(dimethylamino)ethyl)-4-(4-(thiophen-3-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 46890320
N,N-dimethyl-N''-(2-{(E)-2-[4-(methylsulfonyl)phenyl]vinyl}quinazolin-4-yl)ethane-1,2-diamine
CID 121453126
4-(((6-Iodo-2-(2-thienyl)quinazolin-4-yl)amino)methyl)benzen esulfonamide
CID 404800
6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 3233057
N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]phenyl]methanesulfonamide
CID 3233388
N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide
CID 3233788
N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
CID 3233996
6-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 3234464
N-[3-[4-(thiophen-2-ylmethylamino)pyrimidin-5-yl]phenyl]methanesulfonamide
CID 3235369
4-[4-(Benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline
CID 4035156

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide (CID 133387842) is 2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCCNc2ncnc3c(C)cccc23)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide?
The InChIKey is WAWYRMKWPNJFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-11-5-4-6-14-16(11)19-10-20-17(14)18-7-8-21-25(22,23)15-9-12(2)24-13(15)3/h4-6,9-10,21H,7-8H2,1-3H3,(H,18,19,20).
What are the key properties of 2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide has a molecular weight of 376.51 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 133387842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).