(3R,14E,24R,30Z,32S,34R,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-4-oxa-1,6-diazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide

About (3R,14E,24R,30Z,32S,34R,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-4-oxa-1,6-diazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide

(3R,14E,24R,30Z,32S,34R,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-4-oxa-1,6-diazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide (PubChem CID 59571246) has the molecular formula C41H53N3O8S and a molecular weight of 747.95 g/mol. Its IUPAC name is (3R,14E,24R,30Z,32S,34R,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-4-oxa-1,6-diazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide.

Molecular Properties

Compound Name	(3R,14E,24R,30Z,32S,34R,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-4-oxa-1,6-diazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide
PubChem CID	59571246
Molecular Formula	C41H53N3O8S
Molecular Weight	747.95 g/mol
Exact Mass	747.36
IUPAC Name	(3R,14E,24R,30Z,32S,34R,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-4-oxa-1,6-diazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide
SMILES	O=C1CCCCCC/C=C/c2cccc3c2CN(C3)C(=O)O[C@@H]2C[C@H]3C(=O)C[C@]4(C(=O)NS(=O)(=O)C5CC5)C[C@H]4/C=C\CCCCC[C@H](C1)C(=O)N3C2
InChI	InChI=1S/C41H53N3O8S/c45-32-18-11-7-2-1-4-8-13-28-15-12-16-30-25-43(27-35(28)30)40(49)52-33-22-36-37(46)24-41(39(48)42-53(50,51)34-19-20-34)23-31(41)17-10-6-3-5-9-14-29(21-32)38(47)44(36)26-33/h8,10,12-13,15-17,29,31,33-34,36H,1-7,9,11,14,18-27H2,(H,42,48)/b13-8+,17-10-/t29-,31-,33-,36+,41-/m1/s1
InChIKey	UONAXEQOQKEQBC-LNSNEMSSSA-N
XLogP	6.15
TPSA	147.23 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	3
Heavy Atoms	53
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.95
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3R,14E,24R,30Z,32S,34R,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-4-oxa-1,6-diazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide?

The IUPAC name of (3R,14E,24R,30Z,32S,34R,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-4-oxa-1,6-diazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide (CID 59571246) is (3R,14E,24R,30Z,32S,34R,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-4-oxa-1,6-diazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide.

What is the SMILES notation for (3R,14E,24R,30Z,32S,34R,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-4-oxa-1,6-diazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide?

The canonical SMILES for (3R,14E,24R,30Z,32S,34R,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-4-oxa-1,6-diazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide is O=C1CCCCCC/C=C/c2cccc3c2CN(C3)C(=O)O[C@@H]2C[C@H]3C(=O)C[C@]4(C(=O)NS(=O)(=O)C5CC5)C[C@H]4/C=C\CCCCC[C@H](C1)C(=O)N3C2.

What is the InChIKey of (3R,14E,24R,30Z,32S,34R,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-4-oxa-1,6-diazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide?

The InChIKey is UONAXEQOQKEQBC-LNSNEMSSSA-N. The full InChI is InChI=1S/C41H53N3O8S/c45-32-18-11-7-2-1-4-8-13-28-15-12-16-30-25-43(27-35(28)30)40(49)52-33-22-36-37(46)24-41(39(48)42-53(50,51)34-19-20-34)23-31(41)17-10-6-3-5-9-14-29(21-32)38(47)44(36)26-33/h8,10,12-13,15-17,29,31,33-34,36H,1-7,9,11,14,18-27H2,(H,42,48)/b13-8+,17-10-/t29-,31-,33-,36+,41-/m1/s1.

What are the key properties of (3R,14E,24R,30Z,32S,34R,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-4-oxa-1,6-diazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide?

(3R,14E,24R,30Z,32S,34R,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-4-oxa-1,6-diazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide has a molecular weight of 747.95 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,14E,24R,30Z,32S,34R,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-4-oxa-1,6-diazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide is sourced from PubChem (CID 59571246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).