N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

C20H27N3O5S2 — CID 3206981

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC(C)(C)C)Cc2cccs2)cc1
InChIInChI=1S/C20H27N3O5S2/c1-20(2,3)22-18(24)14-23(13-16-6-5-11-29-16)19(25)12-21-30(26,27)17-9-7-15(28-4)8-10-17/h5-11,21H,12-14H2,1-4H3,(H,22,24)
InChIKeyORPAOOKGFJTJOV-UHFFFAOYSA-N
MW453.59 g/mol
LogP1.98
Rot. Bonds9

About N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3206981) has the molecular formula C20H27N3O5S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3206981
Molecular FormulaC20H27N3O5S2
Molecular Weight453.59 g/mol
Exact Mass453.14
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC(C)(C)C)Cc2cccs2)cc1
InChIInChI=1S/C20H27N3O5S2/c1-20(2,3)22-18(24)14-23(13-16-6-5-11-29-16)19(25)12-21-30(26,27)17-9-7-15(28-4)8-10-17/h5-11,21H,12-14H2,1-4H3,(H,22,24)
InChIKeyORPAOOKGFJTJOV-UHFFFAOYSA-N
XLogP1.98
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 3206981) is N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC(C)(C)C)Cc2cccs2)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ORPAOOKGFJTJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S2/c1-20(2,3)22-18(24)14-23(13-16-6-5-11-29-16)19(25)12-21-30(26,27)17-9-7-15(28-4)8-10-17/h5-11,21H,12-14H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 453.59 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3206981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).