1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide

C22H27BrN2O3S — CID 55520759

IUPAC1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C2(c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C22H27BrN2O3S/c1-4-25(5-2)29(27,28)20-12-6-17(7-13-20)16(3)24-21(26)22(14-15-22)18-8-10-19(23)11-9-18/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,26)
InChIKeySIRJSFJZEQKXKJ-UHFFFAOYSA-N
MW479.44 g/mol
LogP4.39
Rot. Bonds8

About 1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide (PubChem CID 55520759) has the molecular formula C22H27BrN2O3S and a molecular weight of 479.44 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide
PubChem CID55520759
Molecular FormulaC22H27BrN2O3S
Molecular Weight479.44 g/mol
Exact Mass478.09
IUPAC Name1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C2(c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C22H27BrN2O3S/c1-4-25(5-2)29(27,28)20-12-6-17(7-13-20)16(3)24-21(26)22(14-15-22)18-8-10-19(23)11-9-18/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,26)
InChIKeySIRJSFJZEQKXKJ-UHFFFAOYSA-N
XLogP4.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 33076663
2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 112765400
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide
CID 17448990
N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 43872386
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 55769812
1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide
CID 55962698
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
CID 31540675
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide (CID 55520759) is 1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C2(c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is SIRJSFJZEQKXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O3S/c1-4-25(5-2)29(27,28)20-12-6-17(7-13-20)16(3)24-21(26)22(14-15-22)18-8-10-19(23)11-9-18/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,26).
What are the key properties of 1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 479.44 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55520759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).