N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide

C22H24N2O4S — CID 70968844

IUPACN-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NC1COC2C(NC(=O)C3CC3)COC12)c1ccccc1Cc1cccs1
InChIInChI=1S/C22H24N2O4S/c25-21(13-7-8-13)23-17-11-27-20-18(12-28-19(17)20)24-22(26)16-6-2-1-4-14(16)10-15-5-3-9-29-15/h1-6,9,13,17-20H,7-8,10-12H2,(H,23,25)(H,24,26)
InChIKeyRBTWBSMRADQLOG-UHFFFAOYSA-N
MW412.51 g/mol
LogP2.13
Rot. Bonds6

About N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide

N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide (PubChem CID 70968844) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide
PubChem CID70968844
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC NameN-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NC1COC2C(NC(=O)C3CC3)COC12)c1ccccc1Cc1cccs1
InChIInChI=1S/C22H24N2O4S/c25-21(13-7-8-13)23-17-11-27-20-18(12-28-19(17)20)24-22(26)16-6-2-1-4-14(16)10-15-5-3-9-29-15/h1-6,9,13,17-20H,7-8,10-12H2,(H,23,25)(H,24,26)
InChIKeyRBTWBSMRADQLOG-UHFFFAOYSA-N
XLogP2.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide with MolForge

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Related Compounds

2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide
CID 70968802
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860799
N-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide
CID 91950447
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
[(3S,3aS,6S,6aS)-3-[(2-thiophen-2-ylacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate
CID 163123264
2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 115923610
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate
CID 91950433
N-cyclopropyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 46156025
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
N-[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide
CID 3218195
N-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570342

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide (CID 70968844) is N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide is O=C(NC1COC2C(NC(=O)C3CC3)COC12)c1ccccc1Cc1cccs1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide?
The InChIKey is RBTWBSMRADQLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c25-21(13-7-8-13)23-17-11-27-20-18(12-28-19(17)20)24-22(26)16-6-2-1-4-14(16)10-15-5-3-9-29-15/h1-6,9,13,17-20H,7-8,10-12H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide?
N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide has a molecular weight of 412.51 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 70968844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).