N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide

C22H25BrN2O4S — CID 60551800

IUPACN-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCC1(c2cccc(Br)c2)CCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H25BrN2O4S/c23-19-6-2-5-18(15-19)22(8-3-9-22)16-24-21(26)17-4-1-7-20(14-17)30(27,28)25-10-12-29-13-11-25/h1-2,4-7,14-15H,3,8-13,16H2,(H,24,26)
InChIKeyIYXOOWYPIGDYGS-UHFFFAOYSA-N
MW493.42 g/mol
LogP3.32
Rot. Bonds6

About N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide

N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 60551800) has the molecular formula C22H25BrN2O4S and a molecular weight of 493.42 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID60551800
Molecular FormulaC22H25BrN2O4S
Molecular Weight493.42 g/mol
Exact Mass492.07
IUPAC NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCC1(c2cccc(Br)c2)CCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H25BrN2O4S/c23-19-6-2-5-18(15-19)22(8-3-9-22)16-24-21(26)17-4-1-7-20(14-17)30(27,28)25-10-12-29-13-11-25/h1-2,4-7,14-15H,3,8-13,16H2,(H,24,26)
InChIKeyIYXOOWYPIGDYGS-UHFFFAOYSA-N
XLogP3.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(3-oxopiperazin-1-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]benzamide
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N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17391709
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55974210
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CID 24691198
3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
CID 86948603
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 110424101
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
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3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide (CID 60551800) is N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide is O=C(NCC1(c2cccc(Br)c2)CCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is IYXOOWYPIGDYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O4S/c23-19-6-2-5-18(15-19)22(8-3-9-22)16-24-21(26)17-4-1-7-20(14-17)30(27,28)25-10-12-29-13-11-25/h1-2,4-7,14-15H,3,8-13,16H2,(H,24,26).
What are the key properties of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 493.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 60551800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).