N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide

C23H29N3O4S — CID 41101632

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H29N3O4S/c1-17-14-18-8-4-5-9-20(18)26(17)16-23(27)24-19-10-11-21(30-2)22(15-19)31(28,29)25-12-6-3-7-13-25/h4-5,8-11,15,17H,3,6-7,12-14,16H2,1-2H3,(H,24,27)/t17-/m0/s1
InChIKeyOWTVXTYAKHKYQC-KRWDZBQOSA-N
MW443.57 g/mol
LogP3.26
Rot. Bonds6

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide (PubChem CID 41101632) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
PubChem CID41101632
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H29N3O4S/c1-17-14-18-8-4-5-9-20(18)26(17)16-23(27)24-19-10-11-21(30-2)22(15-19)31(28,29)25-12-6-3-7-13-25/h4-5,8-11,15,17H,3,6-7,12-14,16H2,1-2H3,(H,24,27)/t17-/m0/s1
InChIKeyOWTVXTYAKHKYQC-KRWDZBQOSA-N
XLogP3.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 42999312
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903716
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrazol-1-ylacetamide
CID 39723835
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(3-chloro-4-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 109008682
2-(2-hydroxyphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8933983
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium
CID 8875638
N-(2-methoxyphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 25346939
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide (CID 41101632) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide is COc1ccc(NC(=O)CN2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is OWTVXTYAKHKYQC-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-17-14-18-8-4-5-9-20(18)26(17)16-23(27)24-19-10-11-21(30-2)22(15-19)31(28,29)25-12-6-3-7-13-25/h4-5,8-11,15,17H,3,6-7,12-14,16H2,1-2H3,(H,24,27)/t17-/m0/s1.
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 443.57 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 41101632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).