N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide

C26H29N3O7S — CID 100774905

IUPACN-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C26H29N3O7S/c1-34-24-10-9-21(37(32,33)29-12-15-35-16-13-29)17-19(24)8-11-25(30)28-23-7-3-2-6-22(23)26(31)27-18-20-5-4-14-36-20/h2-7,9-10,14,17H,8,11-13,15-16,18H2,1H3,(H,27,31)(H,28,30)
InChIKeyDZIARLLXTAURGK-UHFFFAOYSA-N
MW527.60 g/mol
LogP2.81
Rot. Bonds10

About N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide

N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide (PubChem CID 100774905) has the molecular formula C26H29N3O7S and a molecular weight of 527.60 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
PubChem CID100774905
Molecular FormulaC26H29N3O7S
Molecular Weight527.60 g/mol
Exact Mass527.17
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C26H29N3O7S/c1-34-24-10-9-21(37(32,33)29-12-15-35-16-13-29)17-19(24)8-11-25(30)28-23-7-3-2-6-22(23)26(31)27-18-20-5-4-14-36-20/h2-7,9-10,14,17H,8,11-13,15-16,18H2,1H3,(H,27,31)(H,28,30)
InChIKeyDZIARLLXTAURGK-UHFFFAOYSA-N
XLogP2.81
TPSA127.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.60
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 100767673
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 51283919
methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate
CID 100692700
2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide
CID 100768401
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide
CID 34646854
2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 6617066
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide
CID 100730114
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)propanamide
CID 100747000
3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 31494184
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2207960

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide (CID 100774905) is N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide?
The InChIKey is DZIARLLXTAURGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O7S/c1-34-24-10-9-21(37(32,33)29-12-15-35-16-13-29)17-19(24)8-11-25(30)28-23-7-3-2-6-22(23)26(31)27-18-20-5-4-14-36-20/h2-7,9-10,14,17H,8,11-13,15-16,18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide?
N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide has a molecular weight of 527.60 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide is sourced from PubChem (CID 100774905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).