N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide

C20H24ClN3O5S — CID 3791906

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide
SMILESCOc1ccccc1CNCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C20H24ClN3O5S/c1-28-19-5-3-2-4-15(19)13-22-14-20(25)23-18-12-16(6-7-17(18)21)30(26,27)24-8-10-29-11-9-24/h2-7,12,22H,8-11,13-14H2,1H3,(H,23,25)
InChIKeyDRZKTIUSIFEDEC-UHFFFAOYSA-N
MW453.95 g/mol
LogP2.10
Rot. Bonds8

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide (PubChem CID 3791906) has the molecular formula C20H24ClN3O5S and a molecular weight of 453.95 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide
PubChem CID3791906
Molecular FormulaC20H24ClN3O5S
Molecular Weight453.95 g/mol
Exact Mass453.11
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide
SMILESCOc1ccccc1CNCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C20H24ClN3O5S/c1-28-19-5-3-2-4-15(19)13-22-14-20(25)23-18-12-16(6-7-17(18)21)30(26,27)24-8-10-29-11-9-24/h2-7,12,22H,8-11,13-14H2,1H3,(H,23,25)
InChIKeyDRZKTIUSIFEDEC-UHFFFAOYSA-N
XLogP2.10
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide (CID 3791906) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide is COc1ccccc1CNCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide?
The InChIKey is DRZKTIUSIFEDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O5S/c1-28-19-5-3-2-4-15(19)13-22-14-20(25)23-18-12-16(6-7-17(18)21)30(26,27)24-8-10-29-11-9-24/h2-7,12,22H,8-11,13-14H2,1H3,(H,23,25).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide has a molecular weight of 453.95 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide is sourced from PubChem (CID 3791906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).