N-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide

C21H26BrN3O4S — CID 46682881

IUPACN-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2cccc(Br)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H26BrN3O4S/c1-15(21(26)24-17-8-6-7-16(22)13-17)23-18-9-10-19(29-2)20(14-18)30(27,28)25-11-4-3-5-12-25/h6-10,13-15,23H,3-5,11-12H2,1-2H3,(H,24,26)
InChIKeyMDHVZVAXBUQFOV-UHFFFAOYSA-N
MW496.43 g/mol
LogP4.07
Rot. Bonds7

About N-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide

N-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide (PubChem CID 46682881) has the molecular formula C21H26BrN3O4S and a molecular weight of 496.43 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide
PubChem CID46682881
Molecular FormulaC21H26BrN3O4S
Molecular Weight496.43 g/mol
Exact Mass495.08
IUPAC NameN-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2cccc(Br)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H26BrN3O4S/c1-15(21(26)24-17-8-6-7-16(22)13-17)23-18-9-10-19(29-2)20(14-18)30(27,28)25-11-4-3-5-12-25/h6-10,13-15,23H,3-5,11-12H2,1-2H3,(H,24,26)
InChIKeyMDHVZVAXBUQFOV-UHFFFAOYSA-N
XLogP4.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide
CID 55351192
N-(3-bromophenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4801360
N-(3-bromophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 29169210
(2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide
CID 97070489
(2S)-2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(3-cyanophenyl)propanamide
CID 25392666
(2S)-2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41070554
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742152
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)propanamide
CID 55382016
N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 51242436
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide (CID 46682881) is N-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide is COc1ccc(NC(C)C(=O)Nc2cccc(Br)c2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide?
The InChIKey is MDHVZVAXBUQFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O4S/c1-15(21(26)24-17-8-6-7-16(22)13-17)23-18-9-10-19(29-2)20(14-18)30(27,28)25-11-4-3-5-12-25/h6-10,13-15,23H,3-5,11-12H2,1-2H3,(H,24,26).
What are the key properties of N-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide?
N-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide has a molecular weight of 496.43 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide is sourced from PubChem (CID 46682881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).