N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide

C18H21N5O2S2 — CID 122324368

IUPACN-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide
SMILESCCNc1cc(Nc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)nc(C)n1
InChIInChI=1S/C18H21N5O2S2/c1-4-19-16-11-17(21-13(3)20-16)22-14-6-8-15(9-7-14)23-27(24,25)18-10-5-12(2)26-18/h5-11,23H,4H2,1-3H3,(H2,19,20,21,22)
InChIKeyBSNMWHAWPRWXDC-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.13
Rot. Bonds7

About N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide

N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide (PubChem CID 122324368) has the molecular formula C18H21N5O2S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide
PubChem CID122324368
Molecular FormulaC18H21N5O2S2
Molecular Weight403.53 g/mol
Exact Mass403.11
IUPAC NameN-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide
SMILESCCNc1cc(Nc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)nc(C)n1
InChIInChI=1S/C18H21N5O2S2/c1-4-19-16-11-17(21-13(3)20-16)22-14-6-8-15(9-7-14)23-27(24,25)18-10-5-12(2)26-18/h5-11,23H,4H2,1-3H3,(H2,19,20,21,22)
InChIKeyBSNMWHAWPRWXDC-UHFFFAOYSA-N
XLogP4.13
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-iodobenzenesulfonamide
CID 122324445
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 122324173
3-chloro-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-methylbenzenesulfonamide
CID 122324374
5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide
CID 122296217
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenoxybenzenesulfonamide
CID 122324162
5-chloro-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide
CID 122296879
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-(4-fluorophenyl)methanesulfonamide
CID 122324380
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide
CID 122287141
4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 99980348
4-ethoxy-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-fluorobenzenesulfonamide
CID 122324391
N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 106911287

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide (CID 122324368) is N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide is CCNc1cc(Nc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)nc(C)n1.
What is the InChIKey of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is BSNMWHAWPRWXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S2/c1-4-19-16-11-17(21-13(3)20-16)22-14-6-8-15(9-7-14)23-27(24,25)18-10-5-12(2)26-18/h5-11,23H,4H2,1-3H3,(H2,19,20,21,22).
What are the key properties of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide?
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 403.53 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 122324368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).