6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

C26H28ClN3O6S — CID 91500940

IUPAC6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C26H28ClN3O6S/c1-18(25(31)28-10-13-35-14-11-28)29-9-8-24(26(29)32)30(17-22-3-2-12-36-22)37(33,34)23-7-5-19-15-21(27)6-4-20(19)16-23/h2-7,12,15-16,18,24H,8-11,13-14,17H2,1H3/t18-,24?/m0/s1
InChIKeyPARXVTQEMHWTEM-VEXWJQHLSA-N
MW546.05 g/mol
LogP3.13
Rot. Bonds7

About 6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 91500940) has the molecular formula C26H28ClN3O6S and a molecular weight of 546.05 g/mol. Its IUPAC name is 6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
PubChem CID91500940
Molecular FormulaC26H28ClN3O6S
Molecular Weight546.05 g/mol
Exact Mass545.14
IUPAC Name6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C26H28ClN3O6S/c1-18(25(31)28-10-13-35-14-11-28)29-9-8-24(26(29)32)30(17-22-3-2-12-36-22)37(33,34)23-7-5-19-15-21(27)6-4-20(19)16-23/h2-7,12,15-16,18,24H,8-11,13-14,17H2,1H3/t18-,24?/m0/s1
InChIKeyPARXVTQEMHWTEM-VEXWJQHLSA-N
XLogP3.13
TPSA100.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.05
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 91500940) is 6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is C[C@@H](C(=O)N1CCOCC1)N1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of 6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is PARXVTQEMHWTEM-VEXWJQHLSA-N. The full InChI is InChI=1S/C26H28ClN3O6S/c1-18(25(31)28-10-13-35-14-11-28)29-9-8-24(26(29)32)30(17-22-3-2-12-36-22)37(33,34)23-7-5-19-15-21(27)6-4-20(19)16-23/h2-7,12,15-16,18,24H,8-11,13-14,17H2,1H3/t18-,24?/m0/s1.
What are the key properties of 6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 546.05 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 91500940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).