N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide

C22H29N3O4S — CID 41104810

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](C)c1ccccc1
InChIInChI=1S/C22H29N3O4S/c1-17(18-9-5-3-6-10-18)23-16-22(26)24-20-15-19(11-12-21(20)29-2)30(27,28)25-13-7-4-8-14-25/h3,5-6,9-12,15,17,23H,4,7-8,13-14,16H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyFQHKHTMTKHNDHD-QGZVFWFLSA-N
MW431.56 g/mol
LogP3.16
Rot. Bonds8

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide (PubChem CID 41104810) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
PubChem CID41104810
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](C)c1ccccc1
InChIInChI=1S/C22H29N3O4S/c1-17(18-9-5-3-6-10-18)23-16-22(26)24-20-15-19(11-12-21(20)29-2)30(27,28)25-13-7-4-8-14-25/h3,5-6,9-12,15,17,23H,4,7-8,13-14,16H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyFQHKHTMTKHNDHD-QGZVFWFLSA-N
XLogP3.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylethylamino)acetamide
CID 42913358
3-(benzenesulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24636057
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014
2-(4-fluoroanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9098686
1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-propan-2-ylthiourea
CID 8660097
1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea
CID 8659079
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 41214377
2-(2-fluorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 7733293

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide (CID 41104810) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](C)c1ccccc1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
The InChIKey is FQHKHTMTKHNDHD-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-17(18-9-5-3-6-10-18)23-16-22(26)24-20-15-19(11-12-21(20)29-2)30(27,28)25-13-7-4-8-14-25/h3,5-6,9-12,15,17,23H,4,7-8,13-14,16H2,1-2H3,(H,24,26)/t17-/m1/s1.
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide has a molecular weight of 431.56 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 41104810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).