N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide

C21H17F2N5O4S2 — CID 141471198

IUPACN-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide
SMILESCOc1ncc(-c2cc3c(C)nc(NC(C)=O)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H17F2N5O4S2/c1-10-14-8-17(33-20(14)27-21(25-10)26-11(2)29)12-6-16(19(32-3)24-9-12)28-34(30,31)18-5-4-13(22)7-15(18)23/h4-9,28H,1-3H3,(H,25,26,27,29)
InChIKeyRGNZNWVPZKJPFW-UHFFFAOYSA-N
MW505.53 g/mol
LogP4.11
Rot. Bonds6

About N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide

N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide (PubChem CID 141471198) has the molecular formula C21H17F2N5O4S2 and a molecular weight of 505.53 g/mol. Its IUPAC name is N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide
PubChem CID141471198
Molecular FormulaC21H17F2N5O4S2
Molecular Weight505.53 g/mol
Exact Mass505.07
IUPAC NameN-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide
SMILESCOc1ncc(-c2cc3c(C)nc(NC(C)=O)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H17F2N5O4S2/c1-10-14-8-17(33-20(14)27-21(25-10)26-11(2)29)12-6-16(19(32-3)24-9-12)28-34(30,31)18-5-4-13(22)7-15(18)23/h4-9,28H,1-3H3,(H,25,26,27,29)
InChIKeyRGNZNWVPZKJPFW-UHFFFAOYSA-N
XLogP4.11
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.53
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide (CID 141471198) is N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide is COc1ncc(-c2cc3c(C)nc(NC(C)=O)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide?
The InChIKey is RGNZNWVPZKJPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O4S2/c1-10-14-8-17(33-20(14)27-21(25-10)26-11(2)29)12-6-16(19(32-3)24-9-12)28-34(30,31)18-5-4-13(22)7-15(18)23/h4-9,28H,1-3H3,(H,25,26,27,29).
What are the key properties of N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide?
N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide has a molecular weight of 505.53 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 141471198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).