N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide

C13H21NO3S — CID 110022323

IUPACN-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccsc1C(=O)NCCCOCCO
InChIInChI=1S/C13H21NO3S/c1-10(2)11-4-9-18-12(11)13(16)14-5-3-7-17-8-6-15/h4,9-10,15H,3,5-8H2,1-2H3,(H,14,16)
InChIKeyYNDGUMUUIDWETL-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.00
Rot. Bonds8

About N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide

N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide (PubChem CID 110022323) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide
PubChem CID110022323
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccsc1C(=O)NCCCOCCO
InChIInChI=1S/C13H21NO3S/c1-10(2)11-4-9-18-12(11)13(16)14-5-3-7-17-8-6-15/h4,9-10,15H,3,5-8H2,1-2H3,(H,14,16)
InChIKeyYNDGUMUUIDWETL-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-3-propan-2-ylthiophene-2-carboxamide
CID 119382828
3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 113480998
3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide
CID 106307128
3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid
CID 106307494
N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide
CID 71849693
3-[[3-(2-hydroxyethoxy)propylamino]methyl]thiophene-2-carboxylic acid
CID 106305535
4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide
CID 110022380
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide
CID 111441647
3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 106311382
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide
CID 71887575
N-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide
CID 47366898
2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308242

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide (CID 110022323) is N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide is CC(C)c1ccsc1C(=O)NCCCOCCO.
What is the InChIKey of N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide?
The InChIKey is YNDGUMUUIDWETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-10(2)11-4-9-18-12(11)13(16)14-5-3-7-17-8-6-15/h4,9-10,15H,3,5-8H2,1-2H3,(H,14,16).
What are the key properties of N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide?
N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide has a molecular weight of 271.38 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 110022323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).