N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide

C15H21ClN2O4S — CID 110609625

IUPACN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O4S/c1-23(20,21)9-4-15(19)17-13-3-2-12(14(16)10-13)11-18-5-7-22-8-6-18/h2-3,10H,4-9,11H2,1H3,(H,17,19)
InChIKeyQLKBODFJSKMAEI-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.55
Rot. Bonds6

About N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide

N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide (PubChem CID 110609625) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide
PubChem CID110609625
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O4S/c1-23(20,21)9-4-15(19)17-13-3-2-12(14(16)10-13)11-18-5-7-22-8-6-18/h2-3,10H,4-9,11H2,1H3,(H,17,19)
InChIKeyQLKBODFJSKMAEI-UHFFFAOYSA-N
XLogP1.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 86788739
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide
CID 84600438
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide
CID 75520574
4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine
CID 110664361
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-phenoxyacetamide
CID 110416980
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 75520570
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110609639
N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
CID 100651350
N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456922
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide
CID 143323712
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide
CID 155949254

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide (CID 110609625) is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide?
The InChIKey is QLKBODFJSKMAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-23(20,21)9-4-15(19)17-13-3-2-12(14(16)10-13)11-18-5-7-22-8-6-18/h2-3,10H,4-9,11H2,1H3,(H,17,19).
What are the key properties of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide?
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide has a molecular weight of 360.86 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 110609625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).