N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide

C20H25N3O6S — CID 4817035

IUPACN-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C20H25N3O6S/c1-28-17-8-7-15(30(26,27)23-11-3-2-4-12-23)14-16(17)22-19(24)9-10-21-20(25)18-6-5-13-29-18/h5-8,13-14H,2-4,9-12H2,1H3,(H,21,25)(H,22,24)
InChIKeyCHTVTOIXZLQREQ-UHFFFAOYSA-N
MW435.50 g/mol
LogP2.22
Rot. Bonds8

About N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide

N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide (PubChem CID 4817035) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
PubChem CID4817035
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC NameN-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C20H25N3O6S/c1-28-17-8-7-15(30(26,27)23-11-3-2-4-12-23)14-16(17)22-19(24)9-10-21-20(25)18-6-5-13-29-18/h5-8,13-14H,2-4,9-12H2,1H3,(H,21,25)(H,22,24)
InChIKeyCHTVTOIXZLQREQ-UHFFFAOYSA-N
XLogP2.22
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014
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CID 24555023
3-(benzenesulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24636057
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 9466304
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide
CID 27685933
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 26265706
2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92678134
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide (CID 4817035) is N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccco1.
What is the InChIKey of N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is CHTVTOIXZLQREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-28-17-8-7-15(30(26,27)23-11-3-2-4-12-23)14-16(17)22-19(24)9-10-21-20(25)18-6-5-13-29-18/h5-8,13-14H,2-4,9-12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide?
N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 4817035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).