4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide

C22H28N4O2S — CID 165422344

IUPAC4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide
SMILESCCc1ccn2cc(C3(c4ccccc4)CCN(S(=O)(=O)N(C)C)CC3)nc2c1
InChIInChI=1S/C22H28N4O2S/c1-4-18-10-13-25-17-20(23-21(25)16-18)22(19-8-6-5-7-9-19)11-14-26(15-12-22)29(27,28)24(2)3/h5-10,13,16-17H,4,11-12,14-15H2,1-3H3
InChIKeyYZQHBTYONNKBBC-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.09
Rot. Bonds5

About 4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide

4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide (PubChem CID 165422344) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide
PubChem CID165422344
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC Name4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide
SMILESCCc1ccn2cc(C3(c4ccccc4)CCN(S(=O)(=O)N(C)C)CC3)nc2c1
InChIInChI=1S/C22H28N4O2S/c1-4-18-10-13-25-17-20(23-21(25)16-18)22(19-8-6-5-7-9-19)11-14-26(15-12-22)29(27,28)24(2)3/h5-10,13,16-17H,4,11-12,14-15H2,1-3H3
InChIKeyYZQHBTYONNKBBC-UHFFFAOYSA-N
XLogP3.09
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide?
The IUPAC name of 4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide (CID 165422344) is 4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide is CCc1ccn2cc(C3(c4ccccc4)CCN(S(=O)(=O)N(C)C)CC3)nc2c1.
What is the InChIKey of 4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide?
The InChIKey is YZQHBTYONNKBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-4-18-10-13-25-17-20(23-21(25)16-18)22(19-8-6-5-7-9-19)11-14-26(15-12-22)29(27,28)24(2)3/h5-10,13,16-17H,4,11-12,14-15H2,1-3H3.
What are the key properties of 4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide?
4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide has a molecular weight of 412.56 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide is sourced from PubChem (CID 165422344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).