3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide

C19H23BrN2O4S — CID 31972312

IUPAC3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C19H23BrN2O4S/c1-13-8-9-17(26-3)15(12-13)14(2)22-19(23)10-11-21-27(24,25)18-7-5-4-6-16(18)20/h4-9,12,14,21H,10-11H2,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyBXCIFLQIBCHSQT-CQSZACIVSA-N
MW455.37 g/mol
LogP3.31
Rot. Bonds8

About 3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide

3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide (PubChem CID 31972312) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is 3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
PubChem CID31972312
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC Name3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C19H23BrN2O4S/c1-13-8-9-17(26-3)15(12-13)14(2)22-19(23)10-11-21-27(24,25)18-7-5-4-6-16(18)20/h4-9,12,14,21H,10-11H2,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyBXCIFLQIBCHSQT-CQSZACIVSA-N
XLogP3.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51078699
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
N-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630855
3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 55408679
3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264272
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263899
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212488
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
N-[(1R)-1-(2-bromophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51644297

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide (CID 31972312) is 3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide is COc1ccc(C)cc1[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The InChIKey is BXCIFLQIBCHSQT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-13-8-9-17(26-3)15(12-13)14(2)22-19(23)10-11-21-27(24,25)18-7-5-4-6-16(18)20/h4-9,12,14,21H,10-11H2,1-3H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide has a molecular weight of 455.37 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 31972312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).