4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide

C15H13BrN2OS2 — CID 31840109

IUPAC4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Br)c[nH]1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C15H13BrN2OS2/c16-11-7-14(17-8-11)15(19)18(9-12-3-1-5-20-12)10-13-4-2-6-21-13/h1-8,17H,9-10H2
InChIKeyBTNZOZFNZJPUQX-UHFFFAOYSA-N
MW381.32 g/mol
LogP4.74
Rot. Bonds5

About 4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 31840109) has the molecular formula C15H13BrN2OS2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID31840109
Molecular FormulaC15H13BrN2OS2
Molecular Weight381.32 g/mol
Exact Mass379.97
IUPAC Name4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Br)c[nH]1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C15H13BrN2OS2/c16-11-7-14(17-8-11)15(19)18(9-12-3-1-5-20-12)10-13-4-2-6-21-13/h1-8,17H,9-10H2
InChIKeyBTNZOZFNZJPUQX-UHFFFAOYSA-N
XLogP4.74
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60667451
N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 47002987
4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide
CID 43410885
2-[(2-amino-2-oxoethyl)-(4-bromo-1H-pyrrole-2-carbonyl)amino]acetic acid
CID 107434512
2,2,2-trifluoro-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 62490776
N,N-bis(thiophen-2-ylmethyl)furan-2-carboxamide
CID 60682593
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 33032265
4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60698343
4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 32581945
4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 60951972
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 55438026
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 31840109) is 4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(c1cc(Br)c[nH]1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is BTNZOZFNZJPUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS2/c16-11-7-14(17-8-11)15(19)18(9-12-3-1-5-20-12)10-13-4-2-6-21-13/h1-8,17H,9-10H2.
What are the key properties of 4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 381.32 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 31840109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).