N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide

C20H18N4O2S2 — CID 3233996

IUPACN-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncnc(NCc4cccs4)c3c2)c1
InChIInChI=1S/C20H18N4O2S2/c1-28(25,26)24-16-5-2-4-14(10-16)15-7-8-19-18(11-15)20(23-13-22-19)21-12-17-6-3-9-27-17/h2-11,13,24H,12H2,1H3,(H,21,22,23)
InChIKeyFEBMFJCPJZZKAL-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.34
Rot. Bonds6

About N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide

N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide (PubChem CID 3233996) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
PubChem CID3233996
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC NameN-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncnc(NCc4cccs4)c3c2)c1
InChIInChI=1S/C20H18N4O2S2/c1-28(25,26)24-16-5-2-4-14(10-16)15-7-8-19-18(11-15)20(23-13-22-19)21-12-17-6-3-9-27-17/h2-11,13,24H,12H2,1H3,(H,21,22,23)
InChIKeyFEBMFJCPJZZKAL-UHFFFAOYSA-N
XLogP4.34
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
N-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]propane-1,3-diamine
CID 71255859
Flt3-IN-17
CID 164627080
N-tert-butyl-6-(thiophen-3-yl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330918
3-((8-Phenylthieno(2,3-h)quinazolin-2-yl)amino)benzenesulfonamide
CID 53245699
2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2474854
4-[4-(4-Methylphenyl)sulfonyl-1-piperazinyl]-2-thiophen-2-ylquinazoline
CID 26450846
4-(4-Methylpiperazin-1-yl)-7-thiophen-3-ylquinazolin-2-amine
CID 49841846
N-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]pentane-1,5-diamine
CID 71255029
N-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]ethane-1,2-diamine
CID 71255164
N-[(1-aminocyclopropyl)methyl]-2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-6-methylquinazolin-4-amine
CID 71255176
N-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]butane-1,4-diamine
CID 71255407

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide (CID 3233996) is N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc3ncnc(NCc4cccs4)c3c2)c1.
What is the InChIKey of N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
The InChIKey is FEBMFJCPJZZKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-28(25,26)24-16-5-2-4-14(10-16)15-7-8-19-18(11-15)20(23-13-22-19)21-12-17-6-3-9-27-17/h2-11,13,24H,12H2,1H3,(H,21,22,23).
What are the key properties of N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide has a molecular weight of 410.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3233996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).