N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide

C15H22BrNO3S — CID 51123377

IUPACN-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C(C)S(=O)(=O)C(C)C
InChIInChI=1S/C15H22BrNO3S/c1-10(2)21(19,20)12(4)15(18)17-11(3)9-13-5-7-14(16)8-6-13/h5-8,10-12H,9H2,1-4H3,(H,17,18)
InChIKeyQPAMTOXNFYSDPS-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.71
Rot. Bonds6

About N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide

N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 51123377) has the molecular formula C15H22BrNO3S and a molecular weight of 376.32 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide
PubChem CID51123377
Molecular FormulaC15H22BrNO3S
Molecular Weight376.32 g/mol
Exact Mass375.05
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C(C)S(=O)(=O)C(C)C
InChIInChI=1S/C15H22BrNO3S/c1-10(2)21(19,20)12(4)15(18)17-11(3)9-13-5-7-14(16)8-6-13/h5-8,10-12H,9H2,1-4H3,(H,17,18)
InChIKeyQPAMTOXNFYSDPS-UHFFFAOYSA-N
XLogP2.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride
CID 119295652
(2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide
CID 95382799
(2S)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]butanamide
CID 79024112
3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide
CID 94145530
ethyl N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55848909
2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide
CID 93341408
N-[1-(4-bromophenyl)propan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 55717101
N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47210931
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide
CID 47210807
2-[2-[1-(4-bromophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetic acid
CID 113427699

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide (CID 51123377) is N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide is CC(Cc1ccc(Br)cc1)NC(=O)C(C)S(=O)(=O)C(C)C.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is QPAMTOXNFYSDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3S/c1-10(2)21(19,20)12(4)15(18)17-11(3)9-13-5-7-14(16)8-6-13/h5-8,10-12H,9H2,1-4H3,(H,17,18).
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide?
N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 376.32 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 51123377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).