N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide

C19H19N3O2S2 — CID 75463773

IUPACN-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
SMILESCN(C)Cc1cccc(NC(=O)c2ccsc2NC(=O)c2cccs2)c1
InChIInChI=1S/C19H19N3O2S2/c1-22(2)12-13-5-3-6-14(11-13)20-17(23)15-8-10-26-19(15)21-18(24)16-7-4-9-25-16/h3-11H,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyDGCJLQAEBQWPJH-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.38
Rot. Bonds6

About N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide

N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide (PubChem CID 75463773) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
PubChem CID75463773
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
SMILESCN(C)Cc1cccc(NC(=O)c2ccsc2NC(=O)c2cccs2)c1
InChIInChI=1S/C19H19N3O2S2/c1-22(2)12-13-5-3-6-14(11-13)20-17(23)15-8-10-26-19(15)21-18(24)16-7-4-9-25-16/h3-11H,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyDGCJLQAEBQWPJH-UHFFFAOYSA-N
XLogP4.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide
CID 86865208
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
N-[3-[(4-bromophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 32758172
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299044
2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide
CID 114917751
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 81227089
4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 2280085
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 86932022

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide (CID 75463773) is N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide is CN(C)Cc1cccc(NC(=O)c2ccsc2NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The InChIKey is DGCJLQAEBQWPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-22(2)12-13-5-3-6-14(11-13)20-17(23)15-8-10-26-19(15)21-18(24)16-7-4-9-25-16/h3-11H,12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide is sourced from PubChem (CID 75463773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).