N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C20H24N2O2S — CID 71935001

IUPACN-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(C=C(C1CC1)C1CC1)Nc1sc2c(c1C(=O)NC1CC1)CCC2
InChIInChI=1S/C20H24N2O2S/c23-17(10-15(11-4-5-11)12-6-7-12)22-20-18(19(24)21-13-8-9-13)14-2-1-3-16(14)25-20/h10-13H,1-9H2,(H,21,24)(H,22,23)
InChIKeyPXZDSXOSOBCDGE-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.81
Rot. Bonds6

About N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 71935001) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID71935001
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(C=C(C1CC1)C1CC1)Nc1sc2c(c1C(=O)NC1CC1)CCC2
InChIInChI=1S/C20H24N2O2S/c23-17(10-15(11-4-5-11)12-6-7-12)22-20-18(19(24)21-13-8-9-13)14-2-1-3-16(14)25-20/h10-13H,1-9H2,(H,21,24)(H,22,23)
InChIKeyPXZDSXOSOBCDGE-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-[[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27520568
1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide
CID 6468788
(1R,2S,3S,4R)-3-[[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98300419
6-[[3-(cyclopentylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 17377086
1-acetyl-N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-4-carboxamide
CID 6469353
(1R,2S,3S,4R)-3-[[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124715487
3-[[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 17377131
5-[[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 17377132
(1R,2S,3S,4R)-3-[[3-(cyclopentylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124712654
(1S,2R,3S,4S)-3-[[3-(cyclopentylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98300402
2-(cyclopropanecarbonylamino)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7475021
(2R)-N-[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]oxolane-2-carboxamide
CID 42546248

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 71935001) is N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is O=C(C=C(C1CC1)C1CC1)Nc1sc2c(c1C(=O)NC1CC1)CCC2.
What is the InChIKey of N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is PXZDSXOSOBCDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-17(10-15(11-4-5-11)12-6-7-12)22-20-18(19(24)21-13-8-9-13)14-2-1-3-16(14)25-20/h10-13H,1-9H2,(H,21,24)(H,22,23).
What are the key properties of N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 71935001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).