2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide

C28H32ClN3O4S — CID 174508563

IUPAC2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(c1ccccc1)N(CCc1ccc(CN2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H32ClN3O4S/c1-30-28(33)27(24-5-3-2-4-6-24)32(37(34,35)26-13-11-25(29)12-14-26)16-15-22-7-9-23(10-8-22)21-31-17-19-36-20-18-31/h2-14,27H,15-21H2,1H3,(H,30,33)
InChIKeyNMFCKVKYXJKENY-UHFFFAOYSA-N
MW542.10 g/mol
LogP3.89
Rot. Bonds10

About 2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide

2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 174508563) has the molecular formula C28H32ClN3O4S and a molecular weight of 542.10 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide
PubChem CID174508563
Molecular FormulaC28H32ClN3O4S
Molecular Weight542.10 g/mol
Exact Mass541.18
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(c1ccccc1)N(CCc1ccc(CN2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H32ClN3O4S/c1-30-28(33)27(24-5-3-2-4-6-24)32(37(34,35)26-13-11-25(29)12-14-26)16-15-22-7-9-23(10-8-22)21-31-17-19-36-20-18-31/h2-14,27H,15-21H2,1H3,(H,30,33)
InChIKeyNMFCKVKYXJKENY-UHFFFAOYSA-N
XLogP3.89
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.10
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 52522894
2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 51127553
2-[(4-chlorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-2-phenyl-N-(2-phenylethyl)acetamide
CID 133237271
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide
CID 3354978
2-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide
CID 78898020
N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane
CID 90942429
2-(4-chlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108754563
N-(4-chlorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 20934648
(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
CID 174508527
2-[methyl(methylsulfonyl)amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 133190535
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
CID 69039817

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide (CID 174508563) is 2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)C(c1ccccc1)N(CCc1ccc(CN2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is NMFCKVKYXJKENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O4S/c1-30-28(33)27(24-5-3-2-4-6-24)32(37(34,35)26-13-11-25(29)12-14-26)16-15-22-7-9-23(10-8-22)21-31-17-19-36-20-18-31/h2-14,27H,15-21H2,1H3,(H,30,33).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide?
2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 542.10 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 174508563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).