N-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide

C17H26N2O2S — CID 47028931

IUPACN-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide
SMILESCc1cc(C(C)NC(=O)CCNC(=O)C2CCCC2)c(C)s1
InChIInChI=1S/C17H26N2O2S/c1-11-10-15(13(3)22-11)12(2)19-16(20)8-9-18-17(21)14-6-4-5-7-14/h10,12,14H,4-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyBTNPFZZHUJYSOH-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.24
Rot. Bonds6

About N-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide

N-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide (PubChem CID 47028931) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide
PubChem CID47028931
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide
SMILESCc1cc(C(C)NC(=O)CCNC(=O)C2CCCC2)c(C)s1
InChIInChI=1S/C17H26N2O2S/c1-11-10-15(13(3)22-11)12(2)19-16(20)8-9-18-17(21)14-6-4-5-7-14/h10,12,14H,4-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyBTNPFZZHUJYSOH-UHFFFAOYSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide (CID 47028931) is N-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide is Cc1cc(C(C)NC(=O)CCNC(=O)C2CCCC2)c(C)s1.
What is the InChIKey of N-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide?
The InChIKey is BTNPFZZHUJYSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-11-10-15(13(3)22-11)12(2)19-16(20)8-9-18-17(21)14-6-4-5-7-14/h10,12,14H,4-9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide?
N-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide has a molecular weight of 322.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-oxopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 47028931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).