N-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide

C17H16N4O4S2 — CID 135701361

IUPACN-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide
SMILESCCCSc1nc(NC(=O)c2ccco2)c(NC(=O)c2cccs2)c(=O)[nH]1
InChIInChI=1S/C17H16N4O4S2/c1-2-8-27-17-20-13(19-14(22)10-5-3-7-25-10)12(16(24)21-17)18-15(23)11-6-4-9-26-11/h3-7,9H,2,8H2,1H3,(H,18,23)(H2,19,20,21,22,24)
InChIKeyIHCJSSPFDLVHBY-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.43
Rot. Bonds7

About N-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide

N-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide (PubChem CID 135701361) has the molecular formula C17H16N4O4S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide
PubChem CID135701361
Molecular FormulaC17H16N4O4S2
Molecular Weight404.47 g/mol
Exact Mass404.06
IUPAC NameN-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide
SMILESCCCSc1nc(NC(=O)c2ccco2)c(NC(=O)c2cccs2)c(=O)[nH]1
InChIInChI=1S/C17H16N4O4S2/c1-2-8-27-17-20-13(19-14(22)10-5-3-7-25-10)12(16(24)21-17)18-15(23)11-6-4-9-26-11/h3-7,9H,2,8H2,1H3,(H,18,23)(H2,19,20,21,22,24)
InChIKeyIHCJSSPFDLVHBY-UHFFFAOYSA-N
XLogP3.43
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-amino-6-oxo-2-propylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide
CID 135516367
N-[4-acetamido-2-(3-methylbutylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide
CID 135701371
N-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide
CID 135449149
N-[6-oxo-4-(propanoylamino)-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide
CID 135701377
N-[4-acetamido-2-(cyanomethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide
CID 135701402
N-[4-acetamido-2-[(2R)-butan-2-yl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide
CID 135701367
2-[[4-acetamido-6-oxo-5-(thiophene-2-carbonylamino)-1H-pyrimidin-2-yl]sulfanyl]butanoic acid
CID 135705970
N-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide
CID 135701152
(2S)-2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate
CID 135831409
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
N-[4-amino-2-(2,4-dioxopentan-3-ylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
CID 135478610
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754

Frequently Asked Questions

What is the IUPAC name of N-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide (CID 135701361) is N-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide is CCCSc1nc(NC(=O)c2ccco2)c(NC(=O)c2cccs2)c(=O)[nH]1.
What is the InChIKey of N-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide?
The InChIKey is IHCJSSPFDLVHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S2/c1-2-8-27-17-20-13(19-14(22)10-5-3-7-25-10)12(16(24)21-17)18-15(23)11-6-4-9-26-11/h3-7,9H,2,8H2,1H3,(H,18,23)(H2,19,20,21,22,24).
What are the key properties of N-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide?
N-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 135701361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).