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

C20H27N3O4S2 — CID 3206927

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC(C)(C)C)Cc2cccs2)cc1
InChIInChI=1S/C20H27N3O4S2/c1-15-7-9-17(10-8-15)29(26,27)21-12-19(25)23(13-16-6-5-11-28-16)14-18(24)22-20(2,3)4/h5-11,21H,12-14H2,1-4H3,(H,22,24)
InChIKeyVTISDLCIERSHCA-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.28
Rot. Bonds8

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

N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3206927) has the molecular formula C20H27N3O4S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3206927
Molecular FormulaC20H27N3O4S2
Molecular Weight437.59 g/mol
Exact Mass437.14
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC(C)(C)C)Cc2cccs2)cc1
InChIInChI=1S/C20H27N3O4S2/c1-15-7-9-17(10-8-15)29(26,27)21-12-19(25)23(13-16-6-5-11-28-16)14-18(24)22-20(2,3)4/h5-11,21H,12-14H2,1-4H3,(H,22,24)
InChIKeyVTISDLCIERSHCA-UHFFFAOYSA-N
XLogP2.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 694792
2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2118296
N-(5-Carbamimidoyl-thiophen-2-ylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 10162441
N'-[(2-methylphenyl)methyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide
CID 16032240
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
4-[4-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261823
(2S)-N-benzyl-4-(2-chloroacetyl)-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423194
(2R)-N-benzyl-4-(2-chloroacetyl)-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423207
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
4-Diethylsulfamoyl-thiophene-2-carboxylic acid benzylamide
CID 647357
5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide
CID 2449456

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 3206927) is N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(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-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VTISDLCIERSHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S2/c1-15-7-9-17(10-8-15)29(26,27)21-12-19(25)23(13-16-6-5-11-28-16)14-18(24)22-20(2,3)4/h5-11,21H,12-14H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 437.59 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3206927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).