N-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide

C25H35N3O7S — CID 3861948

IUPACN-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(C(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)NC(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C25H35N3O7S/c1-25(2,3)27-24(29)22(17-15-20(32-4)23(34-6)21(16-17)33-5)26-18-7-9-19(10-8-18)36(30,31)28-11-13-35-14-12-28/h7-10,15-16,22,26H,11-14H2,1-6H3,(H,27,29)
InChIKeyVCDSNCAIFPQCIO-UHFFFAOYSA-N
MW521.64 g/mol
LogP2.80
Rot. Bonds9

About N-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide

N-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 3861948) has the molecular formula C25H35N3O7S and a molecular weight of 521.64 g/mol. Its IUPAC name is N-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID3861948
Molecular FormulaC25H35N3O7S
Molecular Weight521.64 g/mol
Exact Mass521.22
IUPAC NameN-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(C(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)NC(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C25H35N3O7S/c1-25(2,3)27-24(29)22(17-15-20(32-4)23(34-6)21(16-17)33-5)26-18-7-9-19(10-8-18)36(30,31)28-11-13-35-14-12-28/h7-10,15-16,22,26H,11-14H2,1-6H3,(H,27,29)
InChIKeyVCDSNCAIFPQCIO-UHFFFAOYSA-N
XLogP2.80
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.64
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[4-(azepan-1-ylsulfonyl)anilino]-N-tert-butyl-2-(3,4-dimethoxyphenyl)acetamide
CID 25457591
(2R)-N-tert-butyl-2-(3,4-dimethoxyphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylanilino]acetamide
CID 124765969
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2330677
(2S)-2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41070554
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 43873383
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100679907
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 1349058

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 3861948) is N-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(C(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)NC(C)(C)C)cc(OC)c1OC.
What is the InChIKey of N-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is VCDSNCAIFPQCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O7S/c1-25(2,3)27-24(29)22(17-15-20(32-4)23(34-6)21(16-17)33-5)26-18-7-9-19(10-8-18)36(30,31)28-11-13-35-14-12-28/h7-10,15-16,22,26H,11-14H2,1-6H3,(H,27,29).
What are the key properties of N-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 521.64 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-morpholin-4-ylsulfonylanilino)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 3861948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).