N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide

C25H25N3O7S — CID 51858044

IUPACN-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O7S/c1-34-19-11-9-18(10-12-19)22(29)26-23(36(32,33)20-6-3-2-4-7-20)25(31)28-15-13-27(14-16-28)24(30)21-8-5-17-35-21/h2-12,17,23H,13-16H2,1H3,(H,26,29)/t23-/m1/s1
InChIKeyJRRRPRZTDJVXIT-HSZRJFAPSA-N
MW511.56 g/mol
LogP1.80
Rot. Bonds7

About N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide

N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide (PubChem CID 51858044) has the molecular formula C25H25N3O7S and a molecular weight of 511.56 g/mol. Its IUPAC name is N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
PubChem CID51858044
Molecular FormulaC25H25N3O7S
Molecular Weight511.56 g/mol
Exact Mass511.14
IUPAC NameN-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O7S/c1-34-19-11-9-18(10-12-19)22(29)26-23(36(32,33)20-6-3-2-4-7-20)25(31)28-15-13-27(14-16-28)24(30)21-8-5-17-35-21/h2-12,17,23H,13-16H2,1H3,(H,26,29)/t23-/m1/s1
InChIKeyJRRRPRZTDJVXIT-HSZRJFAPSA-N
XLogP1.80
TPSA126.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.56
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 51858051
N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide
CID 51858041
N-[(1S)-1-(benzenesulfonyl)-2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 51858042
N-[(1S)-1-(benzenesulfonyl)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 42558379
N-[(1R)-1-(benzenesulfonyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 98173345
N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 42558382
N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 41201756
N-[(1R)-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)sulfonyl-2-oxoethyl]furan-2-carboxamide
CID 98173561
N-[(1R)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]furan-2-carboxamide
CID 98173533
N-[(1R)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]furan-2-carboxamide
CID 42558371
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-4-methoxybenzamide
CID 17468809
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
CID 46019494

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide (CID 51858044) is N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is JRRRPRZTDJVXIT-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25N3O7S/c1-34-19-11-9-18(10-12-19)22(29)26-23(36(32,33)20-6-3-2-4-7-20)25(31)28-15-13-27(14-16-28)24(30)21-8-5-17-35-21/h2-12,17,23H,13-16H2,1H3,(H,26,29)/t23-/m1/s1.
What are the key properties of N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide?
N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 511.56 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 51858044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).