N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide

C19H22BrClN2O4S — CID 43872610

IUPACN-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C19H22BrClN2O4S/c1-4-27-18-10-9-16(11-17(18)21)28(25,26)23(3)12-19(24)22-13(2)14-5-7-15(20)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeyBBOOYTLYPOQEIT-UHFFFAOYSA-N
MW489.82 g/mol
LogP4.00
Rot. Bonds8

About N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide

N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 43872610) has the molecular formula C19H22BrClN2O4S and a molecular weight of 489.82 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID43872610
Molecular FormulaC19H22BrClN2O4S
Molecular Weight489.82 g/mol
Exact Mass488.02
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C19H22BrClN2O4S/c1-4-27-18-10-9-16(11-17(18)21)28(25,26)23(3)12-19(24)22-13(2)14-5-7-15(20)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeyBBOOYTLYPOQEIT-UHFFFAOYSA-N
XLogP4.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45372774
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 45372712
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28547003
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871944
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43872685
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55706414
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861484
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 28546620
N-[1-(4-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 43891536

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide (CID 43872610) is N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)c2ccc(Br)cc2)cc1Cl.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is BBOOYTLYPOQEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrClN2O4S/c1-4-27-18-10-9-16(11-17(18)21)28(25,26)23(3)12-19(24)22-13(2)14-5-7-15(20)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide?
N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 489.82 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 43872610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).