N-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide

C14H13N3O2S2 — CID 95979937

IUPACN-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
SMILESC[C@@H](C#N)CNC(=O)c1ccsc1NC(=O)c1cccs1
InChIInChI=1S/C14H13N3O2S2/c1-9(7-15)8-16-12(18)10-4-6-21-14(10)17-13(19)11-3-2-5-20-11/h2-6,9H,8H2,1H3,(H,16,18)(H,17,19)/t9-/m0/s1
InChIKeyMUCXGPSUJBGFNQ-VIFPVBQESA-N
MW319.41 g/mol
LogP2.95
Rot. Bonds5

About N-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide

N-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide (PubChem CID 95979937) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
PubChem CID95979937
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC NameN-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
SMILESC[C@@H](C#N)CNC(=O)c1ccsc1NC(=O)c1cccs1
InChIInChI=1S/C14H13N3O2S2/c1-9(7-15)8-16-12(18)10-4-6-21-14(10)17-13(19)11-3-2-5-20-11/h2-6,9H,8H2,1H3,(H,16,18)(H,17,19)/t9-/m0/s1
InChIKeyMUCXGPSUJBGFNQ-VIFPVBQESA-N
XLogP2.95
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 75463775
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 75463880
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484333
N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 75463773
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
N-(dicyanomethyl)thiophene-2-carboxamide
CID 22299074
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092
N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide
CID 130638279
2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride
CID 120829264
N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide
CID 574246

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The IUPAC name of N-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide (CID 95979937) is N-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The canonical SMILES for N-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide is C[C@@H](C#N)CNC(=O)c1ccsc1NC(=O)c1cccs1.
What is the InChIKey of N-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The InChIKey is MUCXGPSUJBGFNQ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-9(7-15)8-16-12(18)10-4-6-21-14(10)17-13(19)11-3-2-5-20-11/h2-6,9H,8H2,1H3,(H,16,18)(H,17,19)/t9-/m0/s1.
What are the key properties of N-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
N-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide is sourced from PubChem (CID 95979937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).