N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C14H20N2O2S — CID 47113129

IUPACN-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C14H20N2O2S/c1-3-7-15-13(17)9(2)16-14(18)12-8-10-5-4-6-11(10)19-12/h8-9H,3-7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQVNRDTCTGXWSPX-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.88
Rot. Bonds5

About N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 47113129) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID47113129
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C14H20N2O2S/c1-3-7-15-13(17)9(2)16-14(18)12-8-10-5-4-6-11(10)19-12/h8-9H,3-7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQVNRDTCTGXWSPX-UHFFFAOYSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxopentan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 64991578
(5R)-5-methyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 9227743
N-[(2R)-1-aminopropan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 104872897
N-(3-oxobutan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 64996741
N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 39903793
N-butan-2-yl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 60629228
N-(1-bromopropan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114310501
2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pentanoic acid
CID 43630338
N-(4-bromobutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 83180207
[(2R)-1-[2-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]urea
CID 35431124
N-[(2R)-1-hydroxypropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 79027802
N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684415

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 47113129) is N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is CCCNC(=O)C(C)NC(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is QVNRDTCTGXWSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-7-15-13(17)9(2)16-14(18)12-8-10-5-4-6-11(10)19-12/h8-9H,3-7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 47113129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).