2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide

C24H32N2O6S — CID 54592288

IUPAC2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
SMILESC[C@@H](O)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC1C=CCC1)S(=O)(=O)c1ccco1
InChIInChI=1S/C24H32N2O6S/c1-18(27)16-26(33(30,31)24-12-7-13-32-24)17-22(28)21(14-19-8-3-2-4-9-19)25-23(29)15-20-10-5-6-11-20/h2-5,7-10,12-13,18,20-22,27-28H,6,11,14-17H2,1H3,(H,25,29)/t18-,20?,21+,22-/m1/s1
InChIKeyKOQRXKSJYRQJNN-ANQZQGJXSA-N
MW476.60 g/mol
LogP2.10
Rot. Bonds12

About 2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide

2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide (PubChem CID 54592288) has the molecular formula C24H32N2O6S and a molecular weight of 476.60 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
PubChem CID54592288
Molecular FormulaC24H32N2O6S
Molecular Weight476.60 g/mol
Exact Mass476.20
IUPAC Name2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
SMILESC[C@@H](O)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC1C=CCC1)S(=O)(=O)c1ccco1
InChIInChI=1S/C24H32N2O6S/c1-18(27)16-26(33(30,31)24-12-7-13-32-24)17-22(28)21(14-19-8-3-2-4-9-19)25-23(29)15-20-10-5-6-11-20/h2-5,7-10,12-13,18,20-22,27-28H,6,11,14-17H2,1H3,(H,25,29)/t18-,20?,21+,22-/m1/s1
InChIKeyKOQRXKSJYRQJNN-ANQZQGJXSA-N
XLogP2.10
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide with MolForge

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Related Compounds

CID 15947913
CID 15947913
CID 24768535
CID 24768535
CID 15948030
CID 15948030
CID 25208883
CID 25208883
CID 44581933
CID 44581933
CID 15947914
CID 15947914
CID 3618561
CID 3618561
CID 11444807
CID 11444807
CID 18574407
CID 18574407
CID 44581785
CID 44581785
CID 44581904
CID 44581904
CID 464318
CID 464318

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide (CID 54592288) is 2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide is C[C@@H](O)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC1C=CCC1)S(=O)(=O)c1ccco1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide?
The InChIKey is KOQRXKSJYRQJNN-ANQZQGJXSA-N. The full InChI is InChI=1S/C24H32N2O6S/c1-18(27)16-26(33(30,31)24-12-7-13-32-24)17-22(28)21(14-19-8-3-2-4-9-19)25-23(29)15-20-10-5-6-11-20/h2-5,7-10,12-13,18,20-22,27-28H,6,11,14-17H2,1H3,(H,25,29)/t18-,20?,21+,22-/m1/s1.
What are the key properties of 2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide?
2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide has a molecular weight of 476.60 g/mol, XLogP of 2.10, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[(2S,3R)-4-[furan-2-ylsulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 54592288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).