N-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide

C20H30N2O2S — CID 71452368

IUPACN-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide
SMILESCC(C)(C)CC(=O)Nc1sc2c(c1C(=O)NCC1CC1)C(C)(C)CC2
InChIInChI=1S/C20H30N2O2S/c1-19(2,3)10-14(23)22-18-15(17(24)21-11-12-6-7-12)16-13(25-18)8-9-20(16,4)5/h12H,6-11H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyYLVMXWNZELVYJA-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.49
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide

N-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide (PubChem CID 71452368) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide
PubChem CID71452368
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC NameN-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide
SMILESCC(C)(C)CC(=O)Nc1sc2c(c1C(=O)NCC1CC1)C(C)(C)CC2
InChIInChI=1S/C20H30N2O2S/c1-19(2,3)10-14(23)22-18-15(17(24)21-11-12-6-7-12)16-13(25-18)8-9-20(16,4)5/h12H,6-11H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyYLVMXWNZELVYJA-UHFFFAOYSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide with MolForge

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Related Compounds

2-[(2-chlorobenzoyl)amino]-N-(cyclopropylmethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide
CID 71457677
2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3000134
6-methyl-N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 68908342
N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 68908346
Methyl [3-(cyclopropylcarbamoyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamate
CID 1247559
2-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 71450519
N-[3-(4,4-difluoropiperidine-1-carbonyl)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-2-yl]-3,3-dimethylbutanamide
CID 71459578
2-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide
CID 71461320
2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 71463044
N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 68908007
2-isobutyramido-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7475023
2-(Acetylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 2931986

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide (CID 71452368) is N-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide is CC(C)(C)CC(=O)Nc1sc2c(c1C(=O)NCC1CC1)C(C)(C)CC2.
What is the InChIKey of N-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide?
The InChIKey is YLVMXWNZELVYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-19(2,3)10-14(23)22-18-15(17(24)21-11-12-6-7-12)16-13(25-18)8-9-20(16,4)5/h12H,6-11H2,1-5H3,(H,21,24)(H,22,23).
What are the key properties of N-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide?
N-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide has a molecular weight of 362.54 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 71452368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).