N,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide

C18H21N3O4S2 — CID 55731481

IUPACN,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide
SMILESCCCn1c(SCc2ccc(S(=O)(=O)N(C)C)o2)nc2ccccc2c1=O
InChIInChI=1S/C18H21N3O4S2/c1-4-11-21-17(22)14-7-5-6-8-15(14)19-18(21)26-12-13-9-10-16(25-13)27(23,24)20(2)3/h5-10H,4,11-12H2,1-3H3
InChIKeyWLCHZYQIDDYHOL-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.94
Rot. Bonds7

About N,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide

N,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide (PubChem CID 55731481) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide
PubChem CID55731481
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide
SMILESCCCn1c(SCc2ccc(S(=O)(=O)N(C)C)o2)nc2ccccc2c1=O
InChIInChI=1S/C18H21N3O4S2/c1-4-11-21-17(22)14-7-5-6-8-15(14)19-18(21)26-12-13-9-10-16(25-13)27(23,24)20(2)3/h5-10H,4,11-12H2,1-3H3
InChIKeyWLCHZYQIDDYHOL-UHFFFAOYSA-N
XLogP2.94
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-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

2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
CID 2339607
2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one
CID 110931345
2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one
CID 51365343
N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31205969
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-propylquinazolin-4-one
CID 31097218
1-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylethyl]pyrrolidine-2,5-dione
CID 35358841
2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propylquinazolin-4-one
CID 16535593
2-butylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 78815225
3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365347
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
CID 46925066
2-benzylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 4825111
3-butyl-2-(4-hydroxybutylsulfanyl)quinazolin-4-one
CID 110931344

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide (CID 55731481) is N,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide is CCCn1c(SCc2ccc(S(=O)(=O)N(C)C)o2)nc2ccccc2c1=O.
What is the InChIKey of N,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide?
The InChIKey is WLCHZYQIDDYHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-4-11-21-17(22)14-7-5-6-8-15(14)19-18(21)26-12-13-9-10-16(25-13)27(23,24)20(2)3/h5-10H,4,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide?
N,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide has a molecular weight of 407.52 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]furan-2-sulfonamide is sourced from PubChem (CID 55731481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).