N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C21H29N3O4S — CID 8501899

IUPACN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccco3)N(C)C)cc2)CC1
InChIInChI=1S/C21H29N3O4S/c1-16-10-12-24(13-11-16)29(26,27)18-8-6-17(7-9-18)21(25)22-15-19(23(2)3)20-5-4-14-28-20/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,22,25)/t19-/m1/s1
InChIKeySIEXDIWQCAWZRS-LJQANCHMSA-N
MW419.55 g/mol
LogP2.73
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 8501899) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID8501899
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccco3)N(C)C)cc2)CC1
InChIInChI=1S/C21H29N3O4S/c1-16-10-12-24(13-11-16)29(26,27)18-8-6-17(7-9-18)21(25)22-15-19(23(2)3)20-5-4-14-28-20/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,22,25)/t19-/m1/s1
InChIKeySIEXDIWQCAWZRS-LJQANCHMSA-N
XLogP2.73
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 2458744
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 6363547
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55332159
4-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 51889196
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 4885522
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828342
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55518843
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 24633664

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 8501899) is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccco3)N(C)C)cc2)CC1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is SIEXDIWQCAWZRS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-16-10-12-24(13-11-16)29(26,27)18-8-6-17(7-9-18)21(25)22-15-19(23(2)3)20-5-4-14-28-20/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,22,25)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 419.55 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 8501899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).