N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide

C19H19ClN4O4S2 — CID 169144478

IUPACN-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide
SMILESCCOc1cnc(-c2cc(C(=O)Nc3cc(Cl)cc(NS(C)(=O)=O)c3)sc2C)nc1
InChIInChI=1S/C19H19ClN4O4S2/c1-4-28-15-9-21-18(22-10-15)16-8-17(29-11(16)2)19(25)23-13-5-12(20)6-14(7-13)24-30(3,26)27/h5-10,24H,4H2,1-3H3,(H,23,25)
InChIKeyMQNZRVOGTXKZRM-UHFFFAOYSA-N
MW466.97 g/mol
LogP4.19
Rot. Bonds7

About N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide

N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide (PubChem CID 169144478) has the molecular formula C19H19ClN4O4S2 and a molecular weight of 466.97 g/mol. Its IUPAC name is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide
PubChem CID169144478
Molecular FormulaC19H19ClN4O4S2
Molecular Weight466.97 g/mol
Exact Mass466.05
IUPAC NameN-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide
SMILESCCOc1cnc(-c2cc(C(=O)Nc3cc(Cl)cc(NS(C)(=O)=O)c3)sc2C)nc1
InChIInChI=1S/C19H19ClN4O4S2/c1-4-28-15-9-21-18(22-10-15)16-8-17(29-11(16)2)19(25)23-13-5-12(20)6-14(7-13)24-30(3,26)27/h5-10,24H,4H2,1-3H3,(H,23,25)
InChIKeyMQNZRVOGTXKZRM-UHFFFAOYSA-N
XLogP4.19
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide (CID 169144478) is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide is CCOc1cnc(-c2cc(C(=O)Nc3cc(Cl)cc(NS(C)(=O)=O)c3)sc2C)nc1.
What is the InChIKey of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is MQNZRVOGTXKZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4S2/c1-4-28-15-9-21-18(22-10-15)16-8-17(29-11(16)2)19(25)23-13-5-12(20)6-14(7-13)24-30(3,26)27/h5-10,24H,4H2,1-3H3,(H,23,25).
What are the key properties of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide?
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 466.97 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 169144478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).