N-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide

C26H25N3O3S2 — CID 4998790

IUPACN-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(C1CC1)S(=O)(=O)c1cccc2cccnc12)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C26H25N3O3S2/c30-25(28(18-23-11-6-16-33-23)17-20-7-2-1-3-8-20)19-29(22-13-14-22)34(31,32)24-12-4-9-21-10-5-15-27-26(21)24/h1-12,15-16,22H,13-14,17-19H2
InChIKeyPPJGGCUKDORACH-UHFFFAOYSA-N
MW491.64 g/mol
LogP4.68
Rot. Bonds9

About N-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide

N-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4998790) has the molecular formula C26H25N3O3S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4998790
Molecular FormulaC26H25N3O3S2
Molecular Weight491.64 g/mol
Exact Mass491.13
IUPAC NameN-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(C1CC1)S(=O)(=O)c1cccc2cccnc12)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C26H25N3O3S2/c30-25(28(18-23-11-6-16-33-23)17-20-7-2-1-3-8-20)19-29(22-13-14-22)34(31,32)24-12-4-9-21-10-5-15-27-26(21)24/h1-12,15-16,22H,13-14,17-19H2
InChIKeyPPJGGCUKDORACH-UHFFFAOYSA-N
XLogP4.68
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3687313
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CID 4566631
2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3672193
N-benzyl-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3645959
N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5140226
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
2-[acetyl(cyclopropylmethyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 4600154
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-cyclopropyl-2,6-dimethoxybenzamide
CID 1059668
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide
CID 5145973
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-oxolan-2-yl]methyl-quinolin-8-ylsulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 98400085

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 4998790) is N-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN(C1CC1)S(=O)(=O)c1cccc2cccnc12)N(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of N-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is PPJGGCUKDORACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S2/c30-25(28(18-23-11-6-16-33-23)17-20-7-2-1-3-8-20)19-29(22-13-14-22)34(31,32)24-12-4-9-21-10-5-15-27-26(21)24/h1-12,15-16,22H,13-14,17-19H2.
What are the key properties of N-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
N-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 491.64 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4998790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).