2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide

C19H23ClN2O5S2 — CID 55478999

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C19H23ClN2O5S2/c1-13-11-15(20)3-5-17(13)27-14(2)19(23)21-12-16-4-6-18(28-16)29(24,25)22-7-9-26-10-8-22/h3-6,11,14H,7-10,12H2,1-2H3,(H,21,23)
InChIKeyIUFPMHCBEATDEC-UHFFFAOYSA-N
MW458.99 g/mol
LogP2.81
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide

2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide (PubChem CID 55478999) has the molecular formula C19H23ClN2O5S2 and a molecular weight of 458.99 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide
PubChem CID55478999
Molecular FormulaC19H23ClN2O5S2
Molecular Weight458.99 g/mol
Exact Mass458.07
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C19H23ClN2O5S2/c1-13-11-15(20)3-5-17(13)27-14(2)19(23)21-12-16-4-6-18(28-16)29(24,25)22-7-9-26-10-8-22/h3-6,11,14H,7-10,12H2,1-2H3,(H,21,23)
InChIKeyIUFPMHCBEATDEC-UHFFFAOYSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.99
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]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

2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 46593806
(2R)-N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(3-chlorophenoxy)propanamide
CID 95086831
2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2931257
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 120984439
2-(3-chloro-4-methoxyphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 53112407
(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 898910
1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea
CID 41191116
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate
CID 42966393
2-(3,4-dimethylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 41248003
3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311320
2-(2,4-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 108736187

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide (CID 55478999) is 2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide?
The InChIKey is IUFPMHCBEATDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S2/c1-13-11-15(20)3-5-17(13)27-14(2)19(23)21-12-16-4-6-18(28-16)29(24,25)22-7-9-26-10-8-22/h3-6,11,14H,7-10,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide has a molecular weight of 458.99 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 55478999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).