N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide

C25H24N6O3S — CID 41474589

IUPACN-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide
SMILESC[C@H]1C[C@@H](N(C(=O)CSc2nnnn2C)c2ccccc2)c2ccccc2N1C(=O)c1ccco1
InChIInChI=1S/C25H24N6O3S/c1-17-15-21(19-11-6-7-12-20(19)30(17)24(33)22-13-8-14-34-22)31(18-9-4-3-5-10-18)23(32)16-35-25-26-27-28-29(25)2/h3-14,17,21H,15-16H2,1-2H3/t17-,21+/m0/s1
InChIKeyRCQKFQCGYKFPPF-LAUBAEHRSA-N
MW488.57 g/mol
LogP4.11
Rot. Bonds6

About N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide

N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide (PubChem CID 41474589) has the molecular formula C25H24N6O3S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound NameN-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide
PubChem CID41474589
Molecular FormulaC25H24N6O3S
Molecular Weight488.57 g/mol
Exact Mass488.16
IUPAC NameN-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide
SMILESC[C@H]1C[C@@H](N(C(=O)CSc2nnnn2C)c2ccccc2)c2ccccc2N1C(=O)c1ccco1
InChIInChI=1S/C25H24N6O3S/c1-17-15-21(19-11-6-7-12-20(19)30(17)24(33)22-13-8-14-34-22)31(18-9-4-3-5-10-18)23(32)16-35-25-26-27-28-29(25)2/h3-14,17,21H,15-16H2,1-2H3/t17-,21+/m0/s1
InChIKeyRCQKFQCGYKFPPF-LAUBAEHRSA-N
XLogP4.11
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide 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

N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide
CID 29400498
N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide
CID 58859938
N-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 58859796
N-[(2S,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylfuran-2-carboxamide
CID 131726425
N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 58859906
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide
CID 11574452
N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 21093009
N-[(4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69464580
N-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 11524996
N-[(2S,4R)-1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 86592013
N-[(2R,4S)-1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 21093030

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide (CID 41474589) is N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide is C[C@H]1C[C@@H](N(C(=O)CSc2nnnn2C)c2ccccc2)c2ccccc2N1C(=O)c1ccco1.
What is the InChIKey of N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide?
The InChIKey is RCQKFQCGYKFPPF-LAUBAEHRSA-N. The full InChI is InChI=1S/C25H24N6O3S/c1-17-15-21(19-11-6-7-12-20(19)30(17)24(33)22-13-8-14-34-22)31(18-9-4-3-5-10-18)23(32)16-35-25-26-27-28-29(25)2/h3-14,17,21H,15-16H2,1-2H3/t17-,21+/m0/s1.
What are the key properties of N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide?
N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide has a molecular weight of 488.57 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 41474589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).