2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide

C15H20BrN3O4S — CID 40811240

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C15H20BrN3O4S/c1-3-17-14(20)9(2)18-15(21)12-8-11(6-7-13(12)16)24(22,23)19-10-4-5-10/h6-10,19H,3-5H2,1-2H3,(H,17,20)(H,18,21)/t9-/m1/s1
InChIKeyHLFBDRPGXPWXKY-SECBINFHSA-N
MW418.31 g/mol
LogP1.14
Rot. Bonds7

About 2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide

2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 40811240) has the molecular formula C15H20BrN3O4S and a molecular weight of 418.31 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID40811240
Molecular FormulaC15H20BrN3O4S
Molecular Weight418.31 g/mol
Exact Mass417.04
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C15H20BrN3O4S/c1-3-17-14(20)9(2)18-15(21)12-8-11(6-7-13(12)16)24(22,23)19-10-4-5-10/h6-10,19H,3-5H2,1-2H3,(H,17,20)(H,18,21)/t9-/m1/s1
InChIKeyHLFBDRPGXPWXKY-SECBINFHSA-N
XLogP1.14
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 86945813
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2-bromo-5-(cyclopropylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
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2-bromo-5-(cyclopropylsulfamoyl)benzoate
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2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide
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2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 24504527
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-bromo-5-(cyclopropylsulfamoyl)benzamide
CID 24610224
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43216879
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 17484041
3-(benzamidocarbamoyl)-4-bromo-N-cyclopropylbenzenesulfonamide
CID 27839003

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide (CID 40811240) is 2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide is CCNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is HLFBDRPGXPWXKY-SECBINFHSA-N. The full InChI is InChI=1S/C15H20BrN3O4S/c1-3-17-14(20)9(2)18-15(21)12-8-11(6-7-13(12)16)24(22,23)19-10-4-5-10/h6-10,19H,3-5H2,1-2H3,(H,17,20)(H,18,21)/t9-/m1/s1.
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 418.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 40811240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).