2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide

C21H26ClN3O5S — CID 10479727

IUPAC2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide
SMILESCOc1cc(NS(C)(=O)=O)c(Cl)cc1NC(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H26ClN3O5S/c1-29-20-12-18(24-31(2,27)28)17(22)11-19(20)23-21(26)10-16-14-25(8-9-30-16)13-15-6-4-3-5-7-15/h3-7,11-12,16,24H,8-10,13-14H2,1-2H3,(H,23,26)
InChIKeyVHHKMHFHZZZSDU-UHFFFAOYSA-N
MW467.98 g/mol
LogP2.95
Rot. Bonds8

About 2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide

2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide (PubChem CID 10479727) has the molecular formula C21H26ClN3O5S and a molecular weight of 467.98 g/mol. Its IUPAC name is 2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide
PubChem CID10479727
Molecular FormulaC21H26ClN3O5S
Molecular Weight467.98 g/mol
Exact Mass467.13
IUPAC Name2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide
SMILESCOc1cc(NS(C)(=O)=O)c(Cl)cc1NC(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H26ClN3O5S/c1-29-20-12-18(24-31(2,27)28)17(22)11-19(20)23-21(26)10-16-14-25(8-9-30-16)13-15-6-4-3-5-7-15/h3-7,11-12,16,24H,8-10,13-14H2,1-2H3,(H,23,26)
InChIKeyVHHKMHFHZZZSDU-UHFFFAOYSA-N
XLogP2.95
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 11741926
3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide
CID 136529335
2-(4-benzylmorpholin-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439513
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052
2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 124614375
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370
N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
2-[(2S)-4-benzylmorpholin-2-yl]-N-[4-(hydroxymethyl)-3-pyridinyl]acetamide
CID 124576318
(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid
CID 124681649
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27809533
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
N-[(4-benzylmorpholin-2-yl)methyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 43044118

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide?
The IUPAC name of 2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide (CID 10479727) is 2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide is COc1cc(NS(C)(=O)=O)c(Cl)cc1NC(=O)CC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide?
The InChIKey is VHHKMHFHZZZSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O5S/c1-29-20-12-18(24-31(2,27)28)17(22)11-19(20)23-21(26)10-16-14-25(8-9-30-16)13-15-6-4-3-5-7-15/h3-7,11-12,16,24H,8-10,13-14H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide?
2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide has a molecular weight of 467.98 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 10479727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).