N-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

C24H34N2O3S — CID 155770375

IUPACN-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESO=C(NCC1(C(=O)N2C[C@@H]3CCO[C@@H]3C2)CCCC1)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C24H34N2O3S/c27-22(21-13-17-7-3-1-2-4-8-20(17)30-21)25-16-24(10-5-6-11-24)23(28)26-14-18-9-12-29-19(18)15-26/h13,18-19H,1-12,14-16H2,(H,25,27)/t18-,19+/m0/s1
InChIKeyJIUUQIPKFIOADO-RBUKOAKNSA-N
MW430.61 g/mol
LogP3.94
Rot. Bonds4

About N-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

N-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (PubChem CID 155770375) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is N-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
PubChem CID155770375
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC NameN-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESO=C(NCC1(C(=O)N2C[C@@H]3CCO[C@@H]3C2)CCCC1)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C24H34N2O3S/c27-22(21-13-17-7-3-1-2-4-8-20(17)30-21)25-16-24(10-5-6-11-24)23(28)26-14-18-9-12-29-19(18)15-26/h13,18-19H,1-12,14-16H2,(H,25,27)/t18-,19+/m0/s1
InChIKeyJIUUQIPKFIOADO-RBUKOAKNSA-N
XLogP3.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119404697
N-[[1-(azetidin-1-ylmethyl)cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 155770317
N-[[1-(bromomethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 115456439
N-[[3-[(3-hydroxypyrrolidin-1-yl)methyl]oxan-3-yl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 155770362
N-[[3-[(4-hydroxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 155770383
3,3-difluoro-1-[(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 155770403
N-[(3-methyloxetan-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 78957753
N-(2-cyclopropyl-2-hydroxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 63295079
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 120890583
N-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 155770366
N-(2-hydroxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 43389911
1-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81369479

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The IUPAC name of N-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (CID 155770375) is N-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is O=C(NCC1(C(=O)N2C[C@@H]3CCO[C@@H]3C2)CCCC1)c1cc2c(s1)CCCCCC2.
What is the InChIKey of N-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The InChIKey is JIUUQIPKFIOADO-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H34N2O3S/c27-22(21-13-17-7-3-1-2-4-8-20(17)30-21)25-16-24(10-5-6-11-24)23(28)26-14-18-9-12-29-19(18)15-26/h13,18-19H,1-12,14-16H2,(H,25,27)/t18-,19+/m0/s1.
What are the key properties of N-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
N-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide has a molecular weight of 430.61 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is sourced from PubChem (CID 155770375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).