N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide

C21H26N2O6S2 — CID 133189658

IUPACN-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H26N2O6S2/c1-3-20(16-4-8-18(9-5-16)30(2,25)26)22-21(24)17-6-10-19(11-7-17)31(27,28)23-12-14-29-15-13-23/h4-11,20H,3,12-15H2,1-2H3,(H,22,24)
InChIKeyJZUYHNRYABCEOZ-UHFFFAOYSA-N
MW466.58 g/mol
LogP1.99
Rot. Bonds7

About N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide

N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 133189658) has the molecular formula C21H26N2O6S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID133189658
Molecular FormulaC21H26N2O6S2
Molecular Weight466.58 g/mol
Exact Mass466.12
IUPAC NameN-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H26N2O6S2/c1-3-20(16-4-8-18(9-5-16)30(2,25)26)22-21(24)17-6-10-19(11-7-17)31(27,28)23-12-14-29-15-13-23/h4-11,20H,3,12-15H2,1-2H3,(H,22,24)
InChIKeyJZUYHNRYABCEOZ-UHFFFAOYSA-N
XLogP1.99
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100679907
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680617
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680604
N-[1-(4-methoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 78625788
2-chloro-N-[1-(4-methylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43000663
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 112990790
N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 7927777
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100678969
N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 94018845
4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31397272
N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55497440
(2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119361822

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide (CID 133189658) is N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide is CCC(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JZUYHNRYABCEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S2/c1-3-20(16-4-8-18(9-5-16)30(2,25)26)22-21(24)17-6-10-19(11-7-17)31(27,28)23-12-14-29-15-13-23/h4-11,20H,3,12-15H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 466.58 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 133189658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).