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

C28H30N2O3S2 — CID 4044775

IUPACN-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)CN(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C28H30N2O3S2/c1-22(2)18-30(35(32,33)27-16-8-13-24-12-6-7-15-26(24)27)21-28(31)29(20-25-14-9-17-34-25)19-23-10-4-3-5-11-23/h3-17,22H,18-21H2,1-2H3
InChIKeyQZHWUPLISHGVER-UHFFFAOYSA-N
MW506.69 g/mol
LogP5.78
Rot. Bonds10

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

N-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4044775) has the molecular formula C28H30N2O3S2 and a molecular weight of 506.69 g/mol. Its IUPAC name is N-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4044775
Molecular FormulaC28H30N2O3S2
Molecular Weight506.69 g/mol
Exact Mass506.17
IUPAC NameN-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)CN(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C28H30N2O3S2/c1-22(2)18-30(35(32,33)27-16-8-13-24-12-6-7-15-26(24)27)21-28(31)29(20-25-14-9-17-34-25)19-23-10-4-3-5-11-23/h3-17,22H,18-21H2,1-2H3
InChIKeyQZHWUPLISHGVER-UHFFFAOYSA-N
XLogP5.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5140226
N-benzyl-2-[butan-2-yl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4032302
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-methylbutyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3980302
N-benzyl-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3645959
N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3567239
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 3581124
N-benzyl-2-[butyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4562295
N-benzyl-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4258058
trans-(1R,2R)-N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 93114075
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-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3649754

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 4044775) is N-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide is CC(C)CN(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QZHWUPLISHGVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3S2/c1-22(2)18-30(35(32,33)27-16-8-13-24-12-6-7-15-26(24)27)21-28(31)29(20-25-14-9-17-34-25)19-23-10-4-3-5-11-23/h3-17,22H,18-21H2,1-2H3.
What are the key properties of N-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
N-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 506.69 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4044775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).