N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

C28H34N2O4S2 — CID 2449300

IUPACN-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCCC(C)(C)c1ccc(Oc2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)s3)cc2)cc1
InChIInChI=1S/C28H34N2O4S2/c1-4-28(2,3)21-8-12-23(13-9-21)34-24-14-10-22(11-15-24)29-26(31)20-25-16-17-27(35-25)36(32,33)30-18-6-5-7-19-30/h8-17H,4-7,18-20H2,1-3H3,(H,29,31)
InChIKeyFRCIGKJDHQNOBV-UHFFFAOYSA-N
MW526.72 g/mol
LogP6.58
Rot. Bonds9

About N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 2449300) has the molecular formula C28H34N2O4S2 and a molecular weight of 526.72 g/mol. Its IUPAC name is N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID2449300
Molecular FormulaC28H34N2O4S2
Molecular Weight526.72 g/mol
Exact Mass526.20
IUPAC NameN-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCCC(C)(C)c1ccc(Oc2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)s3)cc2)cc1
InChIInChI=1S/C28H34N2O4S2/c1-4-28(2,3)21-8-12-23(13-9-21)34-24-14-10-22(11-15-24)29-26(31)20-25-16-17-27(35-25)36(32,33)30-18-6-5-7-19-30/h8-17H,4-7,18-20H2,1-3H3,(H,29,31)
InChIKeyFRCIGKJDHQNOBV-UHFFFAOYSA-N
XLogP6.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.72
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 33274811
N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 7941191
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093225
N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide
CID 46553984
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 23770843
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36672065
N-(6-amino-3-pyridinyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119515991
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
N-(3-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78783462
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 26087846
N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 4839985
N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 39754579

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 2449300) is N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is CCC(C)(C)c1ccc(Oc2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)s3)cc2)cc1.
What is the InChIKey of N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is FRCIGKJDHQNOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4S2/c1-4-28(2,3)21-8-12-23(13-9-21)34-24-14-10-22(11-15-24)29-26(31)20-25-16-17-27(35-25)36(32,33)30-18-6-5-7-19-30/h8-17H,4-7,18-20H2,1-3H3,(H,29,31).
What are the key properties of N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 526.72 g/mol, XLogP of 6.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 2449300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).