2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide

C18H20BrClN2O4S — CID 55685943

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrClN2O4S/c1-21(11-13-10-15(20)6-9-17(13)26-3)18(23)12-22(2)27(24,25)16-7-4-14(19)5-8-16/h4-10H,11-12H2,1-3H3
InChIKeyNVHGJTGVFTUYQT-UHFFFAOYSA-N
MW475.79 g/mol
LogP3.39
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 55685943) has the molecular formula C18H20BrClN2O4S and a molecular weight of 475.79 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID55685943
Molecular FormulaC18H20BrClN2O4S
Molecular Weight475.79 g/mol
Exact Mass474.00
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrClN2O4S/c1-21(11-13-10-15(20)6-9-17(13)26-3)18(23)12-22(2)27(24,25)16-7-4-14(19)5-8-16/h4-10H,11-12H2,1-3H3
InChIKeyNVHGJTGVFTUYQT-UHFFFAOYSA-N
XLogP3.39
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.79
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 26048426
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 26545356
(5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 46617678
2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 55533606
N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 1329406
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9182964
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 92678364
3-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]-methylamino]propanoic acid
CID 119232770
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100796604
N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 3504330
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126095605

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide (CID 55685943) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(Cl)cc1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is NVHGJTGVFTUYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O4S/c1-21(11-13-10-15(20)6-9-17(13)26-3)18(23)12-22(2)27(24,25)16-7-4-14(19)5-8-16/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 475.79 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55685943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).