N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide

C15H18N4O5S — CID 108572189

IUPACN-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)no1
InChIInChI=1S/C15H18N4O5S/c1-10-9-13(18-24-10)15(21)17-8-7-16-14(20)11-3-5-12(6-4-11)19-25(2,22)23/h3-6,9,19H,7-8H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyDGLSODVEAPCSHA-UHFFFAOYSA-N
MW366.40 g/mol
LogP0.51
Rot. Bonds7

About N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 108572189) has the molecular formula C15H18N4O5S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID108572189
Molecular FormulaC15H18N4O5S
Molecular Weight366.40 g/mol
Exact Mass366.10
IUPAC NameN-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)no1
InChIInChI=1S/C15H18N4O5S/c1-10-9-13(18-24-10)15(21)17-8-7-16-14(20)11-3-5-12(6-4-11)19-25(2,22)23/h3-6,9,19H,7-8H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyDGLSODVEAPCSHA-UHFFFAOYSA-N
XLogP0.51
TPSA130.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide
CID 108540814
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide
CID 112990402
N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619652
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide
CID 108540776
ethyl [4-[3-[[4-(methanesulfonamido)benzoyl]amino]propylcarbamoyl]phenyl] carbonate
CID 108932294
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzamide
CID 110345058
N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957
N-[3-[(2-cyanoacetyl)amino]propyl]-4-(methanesulfonamido)benzamide
CID 108924285
N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51299884

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 108572189) is N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)no1.
What is the InChIKey of N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is DGLSODVEAPCSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S/c1-10-9-13(18-24-10)15(21)17-8-7-16-14(20)11-3-5-12(6-4-11)19-25(2,22)23/h3-6,9,19H,7-8H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 108572189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).