N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide

C21H24ClNO3S — CID 19764822

IUPACN-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(Sc2cccc(C3(OC)CCOCC3)c2)cc1Cl
InChIInChI=1S/C21H24ClNO3S/c1-3-20(24)23-19-8-7-17(14-18(19)22)27-16-6-4-5-15(13-16)21(25-2)9-11-26-12-10-21/h4-8,13-14H,3,9-12H2,1-2H3,(H,23,24)
InChIKeyOVIYEMJVJHELQN-UHFFFAOYSA-N
MW405.95 g/mol
LogP5.49
Rot. Bonds6

About N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide

N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide (PubChem CID 19764822) has the molecular formula C21H24ClNO3S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide.

Molecular Properties

Compound NameN-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide
PubChem CID19764822
Molecular FormulaC21H24ClNO3S
Molecular Weight405.95 g/mol
Exact Mass405.12
IUPAC NameN-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(Sc2cccc(C3(OC)CCOCC3)c2)cc1Cl
InChIInChI=1S/C21H24ClNO3S/c1-3-20(24)23-19-8-7-17(14-18(19)22)27-16-6-4-5-15(13-16)21(25-2)9-11-26-12-10-21/h4-8,13-14H,3,9-12H2,1-2H3,(H,23,24)
InChIKeyOVIYEMJVJHELQN-UHFFFAOYSA-N
XLogP5.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.95
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide 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-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanesulfonamide
CID 19785597
N-[4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propane-1-sulfonamide
CID 57117829
4-methoxy-4-[3-[4-(2-methoxypropan-2-yl)phenyl]sulfanylphenyl]oxane
CID 19764814
4-[3-(6-bromonaphthalen-2-yl)sulfanylphenyl]-4-methoxyoxane
CID 19764786
N-[2-chloro-4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanesulfonamide
CID 19785614
N-[4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]-N,4-dimethylpiperazine-1-carboxamide;hydrochloride
CID 19925659
N-(2,4-dichlorophenyl)propanamide
CID 923083
4-methoxy-4-phenyloxane
CID 21049814
N-(3-chloro-2-hydroxyphenyl)propanamide
CID 11206429
4-[3-(4-fluorophenyl)sulfanylphenyl]oxane-4-carboxylic acid
CID 20658773
1-[4-[3-(3-methoxy-1-prop-2-ynylpyrrolidin-3-yl)phenyl]sulfanylphenyl]ethanone
CID 19935825
6-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanyl-1-methylquinolin-2-one
CID 19088461

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide?
The IUPAC name of N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide (CID 19764822) is N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide.
What is the SMILES notation for N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide?
The canonical SMILES for N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide is CCC(=O)Nc1ccc(Sc2cccc(C3(OC)CCOCC3)c2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide?
The InChIKey is OVIYEMJVJHELQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3S/c1-3-20(24)23-19-8-7-17(14-18(19)22)27-16-6-4-5-15(13-16)21(25-2)9-11-26-12-10-21/h4-8,13-14H,3,9-12H2,1-2H3,(H,23,24).
What are the key properties of N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide?
N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide has a molecular weight of 405.95 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propanamide is sourced from PubChem (CID 19764822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).