N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide

C23H31N3O7S2 — CID 30277449

IUPACN-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
SMILESCOc1ccccc1CCCNC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H31N3O7S2/c1-32-22-8-4-3-6-19(22)7-5-13-24-23(27)18-26(34(2,28)29)20-9-11-21(12-10-20)35(30,31)25-14-16-33-17-15-25/h3-4,6,8-12H,5,7,13-18H2,1-2H3,(H,24,27)
InChIKeyDPZVUNCKFYFTKR-UHFFFAOYSA-N
MW525.65 g/mol
LogP1.23
Rot. Bonds11

About N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide

N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide (PubChem CID 30277449) has the molecular formula C23H31N3O7S2 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
PubChem CID30277449
Molecular FormulaC23H31N3O7S2
Molecular Weight525.65 g/mol
Exact Mass525.16
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
SMILESCOc1ccccc1CCCNC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H31N3O7S2/c1-32-22-8-4-3-6-19(22)7-5-13-24-23(27)18-26(34(2,28)29)20-9-11-21(12-10-20)35(30,31)25-14-16-33-17-15-25/h3-4,6,8-12H,5,7,13-18H2,1-2H3,(H,24,27)
InChIKeyDPZVUNCKFYFTKR-UHFFFAOYSA-N
XLogP1.23
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.65
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide
CID 30271532
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 30269663
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30273865
N-(3-methylbutyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30269941
2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243337
N-[3-(2-chlorophenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30277293
4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 43901012
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900449
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220173
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30221676
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 51342942
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 43899401

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide (CID 30277449) is N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide is COc1ccccc1CCCNC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
The InChIKey is DPZVUNCKFYFTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O7S2/c1-32-22-8-4-3-6-19(22)7-5-13-24-23(27)18-26(34(2,28)29)20-9-11-21(12-10-20)35(30,31)25-14-16-33-17-15-25/h3-4,6,8-12H,5,7,13-18H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide has a molecular weight of 525.65 g/mol, XLogP of 1.23, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide is sourced from PubChem (CID 30277449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).