N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide

C26H30N2O3S2 — CID 3913172

IUPACN-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)(C)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C26H30N2O3S2/c1-26(2,3)28(33(30,31)18-16-22-11-6-4-7-12-22)21-25(29)27(20-24-15-10-17-32-24)19-23-13-8-5-9-14-23/h4-18H,19-21H2,1-3H3
InChIKeyMNZSMVSHESLVSU-UHFFFAOYSA-N
MW482.67 g/mol
LogP5.38
Rot. Bonds9

About N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide

N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3913172) has the molecular formula C26H30N2O3S2 and a molecular weight of 482.67 g/mol. Its IUPAC name is N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3913172
Molecular FormulaC26H30N2O3S2
Molecular Weight482.67 g/mol
Exact Mass482.17
IUPAC NameN-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)(C)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C26H30N2O3S2/c1-26(2,3)28(33(30,31)18-16-22-11-6-4-7-12-22)21-25(29)27(20-24-15-10-17-32-24)19-23-13-8-5-9-14-23/h4-18H,19-21H2,1-3H3
InChIKeyMNZSMVSHESLVSU-UHFFFAOYSA-N
XLogP5.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 6142760
N-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4566631
N-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5161443
N-benzyl-2-[tert-butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060276
2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
CID 19965196
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide
CID 1059513
N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4534896
N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3687313
N-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4044775
N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5140226
2-[acetyl(cyclopropylmethyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 4600154
N-benzyl-2-[butan-2-yl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4032302

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 3913172) is N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide is CC(C)(C)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MNZSMVSHESLVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S2/c1-26(2,3)28(33(30,31)18-16-22-11-6-4-7-12-22)21-25(29)27(20-24-15-10-17-32-24)19-23-13-8-5-9-14-23/h4-18H,19-21H2,1-3H3.
What are the key properties of N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 482.67 g/mol, XLogP of 5.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3913172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).