2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide

C22H29ClN2O6S — CID 43872685

IUPAC2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC(C)c2ccc(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C22H29ClN2O6S/c1-6-25(32(27,28)17-9-11-19(31-7-2)18(23)13-17)14-22(26)24-15(3)16-8-10-20(29-4)21(12-16)30-5/h8-13,15H,6-7,14H2,1-5H3,(H,24,26)
InChIKeyMBGLQVWZSYLINV-UHFFFAOYSA-N
MW485.00 g/mol
LogP3.64
Rot. Bonds11

About 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 43872685) has the molecular formula C22H29ClN2O6S and a molecular weight of 485.00 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID43872685
Molecular FormulaC22H29ClN2O6S
Molecular Weight485.00 g/mol
Exact Mass484.14
IUPAC Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC(C)c2ccc(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C22H29ClN2O6S/c1-6-25(32(27,28)17-9-11-19(31-7-2)18(23)13-17)14-22(26)24-15(3)16-8-10-20(29-4)21(12-16)30-5/h8-13,15H,6-7,14H2,1-5H3,(H,24,26)
InChIKeyMBGLQVWZSYLINV-UHFFFAOYSA-N
XLogP3.64
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.00
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30403931
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 125044508
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 28547921
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]acetamide
CID 92645757
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2S)-pentan-2-yl]acetamide
CID 9003871
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 9003870
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28547003
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 92645712
2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28548964
3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 43873897
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 6461900
N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 43872610

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 43872685) is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC(C)c2ccc(OC)c(OC)c2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is MBGLQVWZSYLINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O6S/c1-6-25(32(27,28)17-9-11-19(31-7-2)18(23)13-17)14-22(26)24-15(3)16-8-10-20(29-4)21(12-16)30-5/h8-13,15H,6-7,14H2,1-5H3,(H,24,26).
What are the key properties of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 485.00 g/mol, XLogP of 3.64, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 43872685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).