N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide

C27H28N2O3S2 — CID 5140226

IUPACN-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C27H28N2O3S2/c1-2-17-29(34(31,32)26-16-8-13-23-12-6-7-15-25(23)26)21-27(30)28(20-24-14-9-18-33-24)19-22-10-4-3-5-11-22/h3-16,18H,2,17,19-21H2,1H3
InChIKeyOFVKFZYRBRGMOC-UHFFFAOYSA-N
MW492.67 g/mol
LogP5.53
Rot. Bonds10

About N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide

N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 5140226) has the molecular formula C27H28N2O3S2 and a molecular weight of 492.67 g/mol. Its IUPAC name is N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID5140226
Molecular FormulaC27H28N2O3S2
Molecular Weight492.67 g/mol
Exact Mass492.15
IUPAC NameN-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C27H28N2O3S2/c1-2-17-29(34(31,32)26-16-8-13-23-12-6-7-15-25(23)26)21-27(30)28(20-24-14-9-18-33-24)19-22-10-4-3-5-11-22/h3-16,18H,2,17,19-21H2,1H3
InChIKeyOFVKFZYRBRGMOC-UHFFFAOYSA-N
XLogP5.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4044775
N-benzyl-2-[butan-2-yl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4032302
N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3567239
N-benzyl-2-[butyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4562295
N-benzyl-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 5018950
N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3913407
N-benzyl-2-[3-ethoxypropyl(naphthalen-1-ylsulfonyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 5123382
N-benzyl-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4258058
2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
CID 114533570
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 4017696
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-methylbutyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3980302
N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3612818

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 5140226) is N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide is CCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is OFVKFZYRBRGMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3S2/c1-2-17-29(34(31,32)26-16-8-13-23-12-6-7-15-25(23)26)21-27(30)28(20-24-14-9-18-33-24)19-22-10-4-3-5-11-22/h3-16,18H,2,17,19-21H2,1H3.
What are the key properties of N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 492.67 g/mol, XLogP of 5.53, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 5140226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).