N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide

C17H22N4O4S — CID 146665893

IUPACN-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ncc(C(=O)NC(C)(C)C)cn2)cc1
InChIInChI=1S/C17H22N4O4S/c1-5-25-13-6-8-14(9-7-13)26(23,24)21-16-18-10-12(11-19-16)15(22)20-17(2,3)4/h6-11H,5H2,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyKDKOTAOPRQKVLN-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.20
Rot. Bonds6

About N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide

N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide (PubChem CID 146665893) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide
PubChem CID146665893
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ncc(C(=O)NC(C)(C)C)cn2)cc1
InChIInChI=1S/C17H22N4O4S/c1-5-25-13-6-8-14(9-7-13)26(23,24)21-16-18-10-12(11-19-16)15(22)20-17(2,3)4/h6-11H,5H2,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyKDKOTAOPRQKVLN-UHFFFAOYSA-N
XLogP2.20
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119524777
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 51233702
N-[2-(tert-butylamino)-2-oxoethyl]-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 24659018
4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 30291015
N-tert-butyl-6-ethoxypyridine-3-carboxamide
CID 47244667
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61261369
2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate
CID 54710151
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 52636494
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417
4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 39372744

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide (CID 146665893) is N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide is CCOc1ccc(S(=O)(=O)Nc2ncc(C(=O)NC(C)(C)C)cn2)cc1.
What is the InChIKey of N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide?
The InChIKey is KDKOTAOPRQKVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-5-25-13-6-8-14(9-7-13)26(23,24)21-16-18-10-12(11-19-16)15(22)20-17(2,3)4/h6-11H,5H2,1-4H3,(H,20,22)(H,18,19,21).
What are the key properties of N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide?
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 146665893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).