2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[1-[4-[(3-cyanophenyl)methoxy]phenyl]-4-[cyclopentylmethyl(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-3-hydroxybutan-2-yl]carbamate;methanamine

C40H50N4O9S — CID 142034008

About 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[1-[4-[(3-cyanophenyl)methoxy]phenyl]-4-[cyclopentylmethyl(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-3-hydroxybutan-2-yl]carbamate;methanamine

2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[1-[4-[(3-cyanophenyl)methoxy]phenyl]-4-[cyclopentylmethyl(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-3-hydroxybutan-2-yl]carbamate;methanamine (PubChem CID 142034008) has the molecular formula C40H50N4O9S and a molecular weight of 762.93 g/mol. Its IUPAC name is 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[1-[4-[(3-cyanophenyl)methoxy]phenyl]-4-[cyclopentylmethyl(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-3-hydroxybutan-2-yl]carbamate;methanamine.

Molecular Properties

• Compound Name: 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[1-[4-[(3-cyanophenyl)methoxy]phenyl]-4-[cyclopentylmethyl(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-3-hydroxybutan-2-yl]carbamate;methanamine
• PubChem CID: 142034008
• Molecular Formula: C40H50N4O9S
• Molecular Weight: 762.93 g/mol
• Exact Mass: 762.33
• IUPAC Name: 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[1-[4-[(3-cyanophenyl)methoxy]phenyl]-4-[cyclopentylmethyl(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-3-hydroxybutan-2-yl]carbamate;methanamine
• SMILES: CN.N#Cc1cccc(COc2ccc(CC(NC(=O)OC3COC4OCCC34)C(O)CN(CC3CCCC3)S(=O)(=O)c3ccc4c(c3)CCO4)cc2)c1
• InChI: InChI=1S/C39H45N3O9S.CH5N/c40-21-28-6-3-7-29(18-28)24-49-31-10-8-26(9-11-31)19-34(41-39(44)51-37-25-50-38-33(37)15-17-48-38)35(43)23-42(22-27-4-1-2-5-27)52(45,46)32-12-13-36-30(20-32)14-16-47-36;1-2/h3,6-13,18,20,27,33-35,37-38,43H,1-2,4-5,14-17,19,22-25H2,(H,41,44);2H2,1H3
• InChIKey: RYLHDSSJODDSGM-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 182.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.93
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[1-[4-[(3-cyanophenyl)methoxy]phenyl]-4-[cyclopentylmethyl(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-3-hydroxybutan-2-yl]carbamate;methanamine?

The IUPAC name of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[1-[4-[(3-cyanophenyl)methoxy]phenyl]-4-[cyclopentylmethyl(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-3-hydroxybutan-2-yl]carbamate;methanamine (CID 142034008) is 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[1-[4-[(3-cyanophenyl)methoxy]phenyl]-4-[cyclopentylmethyl(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-3-hydroxybutan-2-yl]carbamate;methanamine.

What is the SMILES notation for 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[1-[4-[(3-cyanophenyl)methoxy]phenyl]-4-[cyclopentylmethyl(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-3-hydroxybutan-2-yl]carbamate;methanamine?

The canonical SMILES for 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[1-[4-[(3-cyanophenyl)methoxy]phenyl]-4-[cyclopentylmethyl(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-3-hydroxybutan-2-yl]carbamate;methanamine is CN.N#Cc1cccc(COc2ccc(CC(NC(=O)OC3COC4OCCC34)C(O)CN(CC3CCCC3)S(=O)(=O)c3ccc4c(c3)CCO4)cc2)c1.

What is the InChIKey of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[1-[4-[(3-cyanophenyl)methoxy]phenyl]-4-[cyclopentylmethyl(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-3-hydroxybutan-2-yl]carbamate;methanamine?

The InChIKey is RYLHDSSJODDSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H45N3O9S.CH5N/c40-21-28-6-3-7-29(18-28)24-49-31-10-8-26(9-11-31)19-34(41-39(44)51-37-25-50-38-33(37)15-17-48-38)35(43)23-42(22-27-4-1-2-5-27)52(45,46)32-12-13-36-30(20-32)14-16-47-36;1-2/h3,6-13,18,20,27,33-35,37-38,43H,1-2,4-5,14-17,19,22-25H2,(H,41,44);2H2,1H3.

What are the key properties of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[1-[4-[(3-cyanophenyl)methoxy]phenyl]-4-[cyclopentylmethyl(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-3-hydroxybutan-2-yl]carbamate;methanamine?

2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[1-[4-[(3-cyanophenyl)methoxy]phenyl]-4-[cyclopentylmethyl(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-3-hydroxybutan-2-yl]carbamate;methanamine has a molecular weight of 762.93 g/mol, XLogP of 4.29, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[1-[4-[(3-cyanophenyl)methoxy]phenyl]-4-[cyclopentylmethyl(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-3-hydroxybutan-2-yl]carbamate;methanamine is sourced from PubChem (CID 142034008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).