N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride

C15H22BrClN2O3S — CID 119575277

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride
SMILESCC(CN)(NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C1CC1.Cl
InChIInChI=1S/C15H21BrN2O3S.ClH/c1-15(10-17,12-4-5-12)18-14(19)9-22(20,21)8-11-2-6-13(16)7-3-11;/h2-3,6-7,12H,4-5,8-10,17H2,1H3,(H,18,19);1H
InChIKeyQDCQVLLOGKQYOH-UHFFFAOYSA-N
MW425.78 g/mol
LogP2.03
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride (PubChem CID 119575277) has the molecular formula C15H22BrClN2O3S and a molecular weight of 425.78 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride
PubChem CID119575277
Molecular FormulaC15H22BrClN2O3S
Molecular Weight425.78 g/mol
Exact Mass424.02
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride
SMILESCC(CN)(NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C1CC1.Cl
InChIInChI=1S/C15H21BrN2O3S.ClH/c1-15(10-17,12-4-5-12)18-14(19)9-22(20,21)8-11-2-6-13(16)7-3-11;/h2-3,6-7,12H,4-5,8-10,17H2,1H3,(H,18,19);1H
InChIKeyQDCQVLLOGKQYOH-UHFFFAOYSA-N
XLogP2.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.78
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119574464
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenyl)acetamide;hydrochloride
CID 119574165
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide
CID 119574353
N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119616864
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119573606
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
CID 81487152
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119574924
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-phenylphenyl)acetamide;hydrochloride
CID 119572218
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride
CID 119573653
N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride
CID 119573907
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119573230
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119572402

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride (CID 119575277) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride is CC(CN)(NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride?
The InChIKey is QDCQVLLOGKQYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S.ClH/c1-15(10-17,12-4-5-12)18-14(19)9-22(20,21)8-11-2-6-13(16)7-3-11;/h2-3,6-7,12H,4-5,8-10,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride has a molecular weight of 425.78 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride is sourced from PubChem (CID 119575277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).