N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine

C22H27N3O4S — CID 133291954

IUPACN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCOc1ccc2oc(C(C)Nc3ccc(S(=O)(=O)N4CCCCC4)cn3)c(C)c2c1
InChIInChI=1S/C22H27N3O4S/c1-15-19-13-17(28-3)7-9-20(19)29-22(15)16(2)24-21-10-8-18(14-23-21)30(26,27)25-11-5-4-6-12-25/h7-10,13-14,16H,4-6,11-12H2,1-3H3,(H,23,24)
InChIKeyJCEBBGIEWHOTDL-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.49
Rot. Bonds6

About N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine

N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133291954) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID133291954
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCOc1ccc2oc(C(C)Nc3ccc(S(=O)(=O)N4CCCCC4)cn3)c(C)c2c1
InChIInChI=1S/C22H27N3O4S/c1-15-19-13-17(28-3)7-9-20(19)29-22(15)16(2)24-21-10-8-18(14-23-21)30(26,27)25-11-5-4-6-12-25/h7-10,13-14,16H,4-6,11-12H2,1-3H3,(H,23,24)
InChIKeyJCEBBGIEWHOTDL-UHFFFAOYSA-N
XLogP4.49
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine
CID 55827922
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine
CID 133291938
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133350405
2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
CID 55829206
6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine
CID 133291964
N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133287490
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133477635
5-(azepan-1-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246547
(2S)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122050256
(2R)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122049069

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine (CID 133291954) is N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine is COc1ccc2oc(C(C)Nc3ccc(S(=O)(=O)N4CCCCC4)cn3)c(C)c2c1.
What is the InChIKey of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is JCEBBGIEWHOTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-15-19-13-17(28-3)7-9-20(19)29-22(15)16(2)24-21-10-8-18(14-23-21)30(26,27)25-11-5-4-6-12-25/h7-10,13-14,16H,4-6,11-12H2,1-3H3,(H,23,24).
What are the key properties of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine?
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 429.54 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133291954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).