N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

C21H17N3O2S2 — CID 55930290

IUPACN-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccn2Cc2cccs2)c1)c1cccs1
InChIInChI=1S/C21H17N3O2S2/c25-20(18-8-2-10-24(18)14-17-7-3-11-27-17)22-15-5-1-6-16(13-15)23-21(26)19-9-4-12-28-19/h1-13H,14H2,(H,22,25)(H,23,26)
InChIKeyPNMMOIDNVPTYMA-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.16
Rot. Bonds6

About N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 55930290) has the molecular formula C21H17N3O2S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID55930290
Molecular FormulaC21H17N3O2S2
Molecular Weight407.52 g/mol
Exact Mass407.08
IUPAC NameN-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccn2Cc2cccs2)c1)c1cccs1
InChIInChI=1S/C21H17N3O2S2/c25-20(18-8-2-10-24(18)14-17-7-3-11-27-17)22-15-5-1-6-16(13-15)23-21(26)19-9-4-12-28-19/h1-13H,14H2,(H,22,25)(H,23,26)
InChIKeyPNMMOIDNVPTYMA-UHFFFAOYSA-N
XLogP5.16
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,3-benzothiazol-6-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55922726
N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119390366
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 71889112
N-(3-aminopropyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119408953
N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119454255
N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide
CID 31516052
N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
CID 134022751
3-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 119221189
N-[(2R)-1-amino-1-oxopropan-2-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 96563172
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60548500
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121
N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119643874

Frequently Asked Questions

What is the IUPAC name of N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 55930290) is N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is O=C(Nc1cccc(NC(=O)c2cccn2Cc2cccs2)c1)c1cccs1.
What is the InChIKey of N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is PNMMOIDNVPTYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S2/c25-20(18-8-2-10-24(18)14-17-7-3-11-27-17)22-15-5-1-6-16(13-15)23-21(26)19-9-4-12-28-19/h1-13H,14H2,(H,22,25)(H,23,26).
What are the key properties of N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 55930290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).