N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C21H27N3O5S — CID 56500263

IUPACN-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCOCCOc1ncccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H27N3O5S/c1-28-15-16-29-21-19(5-4-12-22-21)23-20(25)11-8-17-6-9-18(10-7-17)30(26,27)24-13-2-3-14-24/h4-7,9-10,12H,2-3,8,11,13-16H2,1H3,(H,23,25)
InChIKeyNNCCYMQDKASKDR-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.46
Rot. Bonds10

About N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 56500263) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID56500263
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCOCCOc1ncccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H27N3O5S/c1-28-15-16-29-21-19(5-4-12-22-21)23-20(25)11-8-17-6-9-18(10-7-17)30(26,27)24-13-2-3-14-24/h4-7,9-10,12H,2-3,8,11,13-16H2,1H3,(H,23,25)
InChIKeyNNCCYMQDKASKDR-UHFFFAOYSA-N
XLogP2.46
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55661313
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375
N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27445242
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(triazol-1-yl)phenyl]propanamide
CID 112827697
N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 35029071
3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 55676986
N-(2,6-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 16567459
N-(5-bromo-2-methoxyphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60540334
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-thiophen-2-ylphenyl)propanamide
CID 16577582
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35036483
3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 8762980

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 56500263) is N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is COCCOc1ncccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is NNCCYMQDKASKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-28-15-16-29-21-19(5-4-12-22-21)23-20(25)11-8-17-6-9-18(10-7-17)30(26,27)24-13-2-3-14-24/h4-7,9-10,12H,2-3,8,11,13-16H2,1H3,(H,23,25).
What are the key properties of N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 433.53 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 56500263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).