N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

C17H26N2O3S2 — CID 2084509

IUPACN-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NC1CCCCCC1
InChIInChI=1S/C17H26N2O3S2/c20-16(18-14-7-3-1-2-4-8-14)13-15-9-10-17(23-15)24(21,22)19-11-5-6-12-19/h9-10,14H,1-8,11-13H2,(H,18,20)
InChIKeyINIOGEOVEMHGIL-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.91
Rot. Bonds5

About N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 2084509) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID2084509
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC NameN-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NC1CCCCCC1
InChIInChI=1S/C17H26N2O3S2/c20-16(18-14-7-3-1-2-4-8-14)13-15-9-10-17(23-15)24(21,22)19-11-5-6-12-19/h9-10,14H,1-8,11-13H2,(H,18,20)
InChIKeyINIOGEOVEMHGIL-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 2084509) is N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is INIOGEOVEMHGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c20-16(18-14-7-3-1-2-4-8-14)13-15-9-10-17(23-15)24(21,22)19-11-5-6-12-19/h9-10,14H,1-8,11-13H2,(H,18,20).
What are the key properties of N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 370.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 2084509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).