4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide

C18H20ClN3O5S — CID 43890408

IUPAC4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H20ClN3O5S/c1-3-27-15-9-6-13(19)10-16(15)28(25,26)22-11(2)18(24)21-14-7-4-12(5-8-14)17(20)23/h4-11,22H,3H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyHVQGMDUHLKTFQS-UHFFFAOYSA-N
MW425.89 g/mol
LogP2.14
Rot. Bonds8

About 4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide

4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide (PubChem CID 43890408) has the molecular formula C18H20ClN3O5S and a molecular weight of 425.89 g/mol. Its IUPAC name is 4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide
PubChem CID43890408
Molecular FormulaC18H20ClN3O5S
Molecular Weight425.89 g/mol
Exact Mass425.08
IUPAC Name4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H20ClN3O5S/c1-3-27-15-9-6-13(19)10-16(15)28(25,26)22-11(2)18(24)21-14-7-4-12(5-8-14)17(20)23/h4-11,22H,3H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyHVQGMDUHLKTFQS-UHFFFAOYSA-N
XLogP2.14
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzoate
CID 43890406
N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890368
4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
CID 43891017
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890314
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 43890350
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 43890349
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide
CID 43890974
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide
CID 43890329
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 43890415
4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
CID 28542878
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)-3-phenylpropanamide
CID 43890957
2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide
CID 43872761

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide?
The IUPAC name of 4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide (CID 43890408) is 4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide.
What is the SMILES notation for 4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide?
The canonical SMILES for 4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide is CCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide?
The InChIKey is HVQGMDUHLKTFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5S/c1-3-27-15-9-6-13(19)10-16(15)28(25,26)22-11(2)18(24)21-14-7-4-12(5-8-14)17(20)23/h4-11,22H,3H2,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of 4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide?
4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide has a molecular weight of 425.89 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide is sourced from PubChem (CID 43890408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).