N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide

C25H33ClN4O5S — CID 16555020

IUPACN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C25H33ClN4O5S/c1-4-29(17-24(31)27-19-8-10-20(35-3)11-9-19)18(2)25(32)28-23-16-21(12-13-22(23)26)36(33,34)30-14-6-5-7-15-30/h8-13,16,18H,4-7,14-15,17H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyDUOHAXBPUIUYCV-UHFFFAOYSA-N
MW537.08 g/mol
LogP3.81
Rot. Bonds10

About N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide (PubChem CID 16555020) has the molecular formula C25H33ClN4O5S and a molecular weight of 537.08 g/mol. Its IUPAC name is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
PubChem CID16555020
Molecular FormulaC25H33ClN4O5S
Molecular Weight537.08 g/mol
Exact Mass536.19
IUPAC NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C25H33ClN4O5S/c1-4-29(17-24(31)27-19-8-10-20(35-3)11-9-19)18(2)25(32)28-23-16-21(12-13-22(23)26)36(33,34)30-14-6-5-7-15-30/h8-13,16,18H,4-7,14-15,17H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyDUOHAXBPUIUYCV-UHFFFAOYSA-N
XLogP3.81
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.08
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 16555013
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 7858760
(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 37309301
2-[bis(2-methoxyethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 43031214
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 7858761
N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide
CID 24816757
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 18078718
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 100635331
(2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 26075409
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8718360
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51342756
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18094701

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide (CID 16555020) is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide is CCN(CC(=O)Nc1ccc(OC)cc1)C(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is DUOHAXBPUIUYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O5S/c1-4-29(17-24(31)27-19-8-10-20(35-3)11-9-19)18(2)25(32)28-23-16-21(12-13-22(23)26)36(33,34)30-14-6-5-7-15-30/h8-13,16,18H,4-7,14-15,17H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide?
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 537.08 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 16555020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).