N-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide

C16H11ClN2O2S2 — CID 3111171

IUPACN-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)c(Cl)c1)c1cccs1
InChIInChI=1S/C16H11ClN2O2S2/c17-11-9-10(18-15(20)13-3-1-7-22-13)5-6-12(11)19-16(21)14-4-2-8-23-14/h1-9H,(H,18,20)(H,19,21)
InChIKeyYHVSIGPSPCTZNC-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.97
Rot. Bonds4

About N-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide

N-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide (PubChem CID 3111171) has the molecular formula C16H11ClN2O2S2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
PubChem CID3111171
Molecular FormulaC16H11ClN2O2S2
Molecular Weight362.86 g/mol
Exact Mass362.00
IUPAC NameN-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)c(Cl)c1)c1cccs1
InChIInChI=1S/C16H11ClN2O2S2/c17-11-9-10(18-15(20)13-3-1-7-22-13)5-6-12(11)19-16(21)14-4-2-8-23-14/h1-9H,(H,18,20)(H,19,21)
InChIKeyYHVSIGPSPCTZNC-UHFFFAOYSA-N
XLogP4.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide (CID 3111171) is N-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(NC(=O)c2cccs2)c(Cl)c1)c1cccs1.
What is the InChIKey of N-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is YHVSIGPSPCTZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2S2/c17-11-9-10(18-15(20)13-3-1-7-22-13)5-6-12(11)19-16(21)14-4-2-8-23-14/h1-9H,(H,18,20)(H,19,21).
What are the key properties of N-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
N-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3111171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).