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

C26H28N2O3S2 — CID 5161443

IUPACN-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CC1)S(=O)(=O)C=Cc1ccccc1)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C26H28N2O3S2/c29-26(27(20-25-12-7-16-32-25)18-23-10-5-2-6-11-23)21-28(19-24-13-14-24)33(30,31)17-15-22-8-3-1-4-9-22/h1-12,15-17,24H,13-14,18-21H2
InChIKeyQQTOOBGFLLJEGE-UHFFFAOYSA-N
MW480.66 g/mol
LogP4.99
Rot. Bonds11

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

N-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 5161443) has the molecular formula C26H28N2O3S2 and a molecular weight of 480.66 g/mol. Its IUPAC name is N-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID5161443
Molecular FormulaC26H28N2O3S2
Molecular Weight480.66 g/mol
Exact Mass480.15
IUPAC NameN-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CC1)S(=O)(=O)C=Cc1ccccc1)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C26H28N2O3S2/c29-26(27(20-25-12-7-16-32-25)18-23-10-5-2-6-11-23)21-28(19-24-13-14-24)33(30,31)17-15-22-8-3-1-4-9-22/h1-12,15-17,24H,13-14,18-21H2
InChIKeyQQTOOBGFLLJEGE-UHFFFAOYSA-N
XLogP4.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4566631
N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 6142760
N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3913172
2-[acetyl(cyclopropylmethyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 4600154
N-benzyl-2-[cyclopropylmethyl-[(2,6-dimethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1059977
N-benzyl-2-[cyclopropylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3382393
N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4534896
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 4017696
N-benzyl-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3938356
N-benzyl-2-[octylsulfonyl(oxolan-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 42777706
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 1059581
N-benzyl-2-[dimethylcarbamoyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 7217168

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 5161443) is N-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN(CC1CC1)S(=O)(=O)C=Cc1ccccc1)N(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of N-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QQTOOBGFLLJEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S2/c29-26(27(20-25-12-7-16-32-25)18-23-10-5-2-6-11-23)21-28(19-24-13-14-24)33(30,31)17-15-22-8-3-1-4-9-22/h1-12,15-17,24H,13-14,18-21H2.
What are the key properties of N-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
N-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 480.66 g/mol, XLogP of 4.99, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 5161443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).