3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide

C19H23BrN2O5S — CID 55408679

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C19H23BrN2O5S/c1-13(17-12-15(26-2)7-8-18(17)27-3)22-19(23)9-10-21-28(24,25)16-6-4-5-14(20)11-16/h4-8,11-13,21H,9-10H2,1-3H3,(H,22,23)
InChIKeyWLHOYSNUPBTLMQ-UHFFFAOYSA-N
MW471.37 g/mol
LogP3.01
Rot. Bonds9

About 3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide

3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide (PubChem CID 55408679) has the molecular formula C19H23BrN2O5S and a molecular weight of 471.37 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
PubChem CID55408679
Molecular FormulaC19H23BrN2O5S
Molecular Weight471.37 g/mol
Exact Mass470.05
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C19H23BrN2O5S/c1-13(17-12-15(26-2)7-8-18(17)27-3)22-19(23)9-10-21-28(24,25)16-6-4-5-14(20)11-16/h4-8,11-13,21H,9-10H2,1-3H3,(H,22,23)
InChIKeyWLHOYSNUPBTLMQ-UHFFFAOYSA-N
XLogP3.01
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100702613
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365
3-[3-[(3-bromophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119220969
3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 31972312
3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 1323549
3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide
CID 55376241
3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide
CID 55408582
1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55696724
3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
CID 46414686
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51078699

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide (CID 55408679) is 3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide is COc1ccc(OC)c(C(C)NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is WLHOYSNUPBTLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O5S/c1-13(17-12-15(26-2)7-8-18(17)27-3)22-19(23)9-10-21-28(24,25)16-6-4-5-14(20)11-16/h4-8,11-13,21H,9-10H2,1-3H3,(H,22,23).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 471.37 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 55408679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).