ethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate

C17H25N3O6S — CID 30148645

IUPACethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(N(C)S(C)(=O)=O)ccc2OC)CC1
InChIInChI=1S/C17H25N3O6S/c1-5-26-17(22)20-10-8-19(9-11-20)16(21)14-12-13(6-7-15(14)25-3)18(2)27(4,23)24/h6-7,12H,5,8-11H2,1-4H3
InChIKeyOIXDLYRPHZHUSD-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.01
Rot. Bonds5

About ethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate

ethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate (PubChem CID 30148645) has the molecular formula C17H25N3O6S and a molecular weight of 399.47 g/mol. Its IUPAC name is ethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate
PubChem CID30148645
Molecular FormulaC17H25N3O6S
Molecular Weight399.47 g/mol
Exact Mass399.15
IUPAC Nameethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(N(C)S(C)(=O)=O)ccc2OC)CC1
InChIInChI=1S/C17H25N3O6S/c1-5-26-17(22)20-10-8-19(9-11-20)16(21)14-12-13(6-7-15(14)25-3)18(2)27(4,23)24/h6-7,12H,5,8-11H2,1-4H3
InChIKeyOIXDLYRPHZHUSD-UHFFFAOYSA-N
XLogP1.01
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-ethylpiperazine-1-carbonyl)-4-methoxyphenyl]-N-methylmethanesulfonamide
CID 30148664
ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate
CID 30148619
N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide
CID 30148628
ethyl 4-[2-(3,4-dimethoxy-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate
CID 132672880
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
butyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 108568498
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 30148719
ethyl 4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 108568487
ethyl 4-(2-amino-5-methylbenzoyl)piperazine-1-carboxylate
CID 62075004
4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide
CID 61140082

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate (CID 30148645) is ethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc(N(C)S(C)(=O)=O)ccc2OC)CC1.
What is the InChIKey of ethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate?
The InChIKey is OIXDLYRPHZHUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6S/c1-5-26-17(22)20-10-8-19(9-11-20)16(21)14-12-13(6-7-15(14)25-3)18(2)27(4,23)24/h6-7,12H,5,8-11H2,1-4H3.
What are the key properties of ethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate?
ethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate has a molecular weight of 399.47 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 30148645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).