2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide

C14H21BrN2O2S — CID 81207002

IUPAC2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)S(=O)c1cc(Br)ccc1N
InChIInChI=1S/C14H21BrN2O2S/c1-9(2)6-7-17-14(18)10(3)20(19)13-8-11(15)4-5-12(13)16/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyCBXFSGWDTZACKD-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.69
Rot. Bonds6

About 2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide

2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide (PubChem CID 81207002) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide
PubChem CID81207002
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)S(=O)c1cc(Br)ccc1N
InChIInChI=1S/C14H21BrN2O2S/c1-9(2)6-7-17-14(18)10(3)20(19)13-8-11(15)4-5-12(13)16/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyCBXFSGWDTZACKD-UHFFFAOYSA-N
XLogP2.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
CID 81207237
2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide
CID 81183646
2-(2-amino-5-bromophenyl)sulfinyl-N-methylpropanamide
CID 81206667
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
[2-(3-methylbutylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149206
4-bromo-2-(2-methylpropylsulfinyl)aniline
CID 81206911
2-(2-aminophenyl)sulfinyl-N-butylpropanamide
CID 61366897
2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide
CID 81182738
2-(2-amino-5-bromophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one
CID 81207163
2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43805994
2-(2-amino-5-bromophenyl)sulfinyl-N-butylacetamide
CID 81207148
2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 81183756

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide (CID 81207002) is 2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)S(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide?
The InChIKey is CBXFSGWDTZACKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-9(2)6-7-17-14(18)10(3)20(19)13-8-11(15)4-5-12(13)16/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide?
2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide has a molecular weight of 361.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 81207002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).