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

C25H26N2O3S2 — CID 4566631

IUPACN-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(C1CC1)S(=O)(=O)C=Cc1ccccc1)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C25H26N2O3S2/c28-25(26(19-24-12-7-16-31-24)18-22-10-5-2-6-11-22)20-27(23-13-14-23)32(29,30)17-15-21-8-3-1-4-9-21/h1-12,15-17,23H,13-14,18-20H2
InChIKeyQBLTYQZIPCXMMC-UHFFFAOYSA-N
MW466.63 g/mol
LogP4.74
Rot. Bonds10

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

N-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4566631) has the molecular formula C25H26N2O3S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4566631
Molecular FormulaC25H26N2O3S2
Molecular Weight466.63 g/mol
Exact Mass466.14
IUPAC NameN-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(C1CC1)S(=O)(=O)C=Cc1ccccc1)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C25H26N2O3S2/c28-25(26(19-24-12-7-16-31-24)18-22-10-5-2-6-11-22)20-27(23-13-14-23)32(29,30)17-15-21-8-3-1-4-9-21/h1-12,15-17,23H,13-14,18-20H2
InChIKeyQBLTYQZIPCXMMC-UHFFFAOYSA-N
XLogP4.74
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[cyclopropylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5161443
N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3913172
N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 6142760
N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3687313
2-[cyclohexyl(2-phenylethenylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 5057147
N-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4998790
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-phenylpropanamide
CID 5063733
2-[acetyl(cyclopropylmethyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 4600154
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide
CID 5145973
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2,6-dimethoxybenzamide
CID 1059668
N-benzyl-2-[cyclopropyl-[(2,6-dichlorophenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060053
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 4017696

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 4566631) is N-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN(C1CC1)S(=O)(=O)C=Cc1ccccc1)N(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of N-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QBLTYQZIPCXMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S2/c28-25(26(19-24-12-7-16-31-24)18-22-10-5-2-6-11-22)20-27(23-13-14-23)32(29,30)17-15-21-8-3-1-4-9-21/h1-12,15-17,23H,13-14,18-20H2.
What are the key properties of N-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
N-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 466.63 g/mol, XLogP of 4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[cyclopropyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4566631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).