N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide

C27H31N3O7S — CID 98420303

IUPACN-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC([C@H](NC(=O)c3cccc(OC)c3)C(=O)NCc3ccco3)CC2)cc1
InChIInChI=1S/C27H31N3O7S/c1-35-21-8-10-24(11-9-21)38(33,34)30-14-12-19(13-15-30)25(27(32)28-18-23-7-4-16-37-23)29-26(31)20-5-3-6-22(17-20)36-2/h3-11,16-17,19,25H,12-15,18H2,1-2H3,(H,28,32)(H,29,31)/t25-/m0/s1
InChIKeyMEEBIUCVDDMPKW-VWLOTQADSA-N
MW541.63 g/mol
LogP2.81
Rot. Bonds10

About N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide

N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 98420303) has the molecular formula C27H31N3O7S and a molecular weight of 541.63 g/mol. Its IUPAC name is N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
PubChem CID98420303
Molecular FormulaC27H31N3O7S
Molecular Weight541.63 g/mol
Exact Mass541.19
IUPAC NameN-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC([C@H](NC(=O)c3cccc(OC)c3)C(=O)NCc3ccco3)CC2)cc1
InChIInChI=1S/C27H31N3O7S/c1-35-21-8-10-24(11-9-21)38(33,34)30-14-12-19(13-15-30)25(27(32)28-18-23-7-4-16-37-23)29-26(31)20-5-3-6-22(17-20)36-2/h3-11,16-17,19,25H,12-15,18H2,1-2H3,(H,28,32)(H,29,31)/t25-/m0/s1
InChIKeyMEEBIUCVDDMPKW-VWLOTQADSA-N
XLogP2.81
TPSA127.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.63
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide
CID 46020834
N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 46014684
N-[2-(butan-2-ylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
CID 46020818
4-methoxy-N-[(1S)-2-(3-methoxypropylamino)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide
CID 93200608
N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 42704052
(3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1456683
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 93199355
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
3-methoxy-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-(propylamino)ethyl]benzamide
CID 42840353
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide
CID 93198867
3-methoxy-N-[(1R)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93198280
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide (CID 98420303) is N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide is COc1ccc(S(=O)(=O)N2CCC([C@H](NC(=O)c3cccc(OC)c3)C(=O)NCc3ccco3)CC2)cc1.
What is the InChIKey of N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is MEEBIUCVDDMPKW-VWLOTQADSA-N. The full InChI is InChI=1S/C27H31N3O7S/c1-35-21-8-10-24(11-9-21)38(33,34)30-14-12-19(13-15-30)25(27(32)28-18-23-7-4-16-37-23)29-26(31)20-5-3-6-22(17-20)36-2/h3-11,16-17,19,25H,12-15,18H2,1-2H3,(H,28,32)(H,29,31)/t25-/m0/s1.
What are the key properties of N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 541.63 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 98420303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).