4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide

C22H28ClN3O5S — CID 40844556

IUPAC4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H28ClN3O5S/c23-18-7-6-17(15-21(18)32(28,29)26-10-13-30-14-11-26)22(27)24-16-19(20-5-4-12-31-20)25-8-2-1-3-9-25/h4-7,12,15,19H,1-3,8-11,13-14,16H2,(H,24,27)/t19-/m1/s1
InChIKeyHHDDOLQCDYQCMB-LJQANCHMSA-N
MW482.00 g/mol
LogP2.91
Rot. Bonds7

About 4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 40844556) has the molecular formula C22H28ClN3O5S and a molecular weight of 482.00 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID40844556
Molecular FormulaC22H28ClN3O5S
Molecular Weight482.00 g/mol
Exact Mass481.14
IUPAC Name4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H28ClN3O5S/c23-18-7-6-17(15-21(18)32(28,29)26-10-13-30-14-11-26)22(27)24-16-19(20-5-4-12-31-20)25-8-2-1-3-9-25/h4-7,12,15,19H,1-3,8-11,13-14,16H2,(H,24,27)/t19-/m1/s1
InChIKeyHHDDOLQCDYQCMB-LJQANCHMSA-N
XLogP2.91
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.00
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 41139101
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55330211
3-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 16809743
4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 41042450
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 34669940
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 4780259
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25435903
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46809468

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide (CID 40844556) is 4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide is O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HHDDOLQCDYQCMB-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28ClN3O5S/c23-18-7-6-17(15-21(18)32(28,29)26-10-13-30-14-11-26)22(27)24-16-19(20-5-4-12-31-20)25-8-2-1-3-9-25/h4-7,12,15,19H,1-3,8-11,13-14,16H2,(H,24,27)/t19-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 482.00 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 40844556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).