N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C22H30N2O4S2 — CID 25162392

IUPACN-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C22H30N2O4S2/c1-22(2,3)18-7-5-17(6-8-18)16-23(4)20(25)15-19-9-10-21(29-19)30(26,27)24-11-13-28-14-12-24/h5-10H,11-16H2,1-4H3
InChIKeyGPEYCXXPEDTRDL-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.27
Rot. Bonds6

About N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 25162392) has the molecular formula C22H30N2O4S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID25162392
Molecular FormulaC22H30N2O4S2
Molecular Weight450.63 g/mol
Exact Mass450.16
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C22H30N2O4S2/c1-22(2,3)18-7-5-17(6-8-18)16-23(4)20(25)15-19-9-10-21(29-19)30(26,27)24-11-13-28-14-12-24/h5-10H,11-16H2,1-4H3
InChIKeyGPEYCXXPEDTRDL-UHFFFAOYSA-N
XLogP3.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyloxycarbonyl-3-[4-(N-benzyl-N-ethylcarbamoylmethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide
CID 10370806
N-butyloxycarbonyl-3-[4-(N-methyl-pentylamidomethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide
CID 11168408
N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 2561079
N-(3,3-diphenylpropyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 5037436
1-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 24818090
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24980169
butyl N-[5-(2-methylpropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiophen-2-yl]sulfonylcarbamate
CID 44437993
Butyl 5-isobutyl-3-(4-(piperidine-1-carbonyl)phenyl)thiophen-2-ylsulfonylcarbamate
CID 44567817
Butyl 5-isobutyl-3-(4-(morpholine-4-carbonyl)phenyl)thiophen-2-ylsulfonylcarbamate
CID 44567818
4-[4-(Morpholin-4-ylmethyl)benzoyl]thiophene-2-sulfonamide;hydrochloride
CID 45261799
N-Butyloxycarbonyl-3-[4-(morpholine-4-ylmethyl)-phenyl]-5-iso-butyl-thiophene-2-sulfonamide
CID 46907114
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4827066

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 25162392) is N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is GPEYCXXPEDTRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S2/c1-22(2,3)18-7-5-17(6-8-18)16-23(4)20(25)15-19-9-10-21(29-19)30(26,27)24-11-13-28-14-12-24/h5-10H,11-16H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 450.63 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 25162392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).