2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide

C18H29N3OS — CID 24845268

IUPAC2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCC(C)(C)NCc2cccs2)C(C)(C)N1
InChIInChI=1S/C18H29N3OS/c1-16(2)10-14(18(5,6)21-16)15(22)19-12-17(3,4)20-11-13-8-7-9-23-13/h7-10,20-21H,11-12H2,1-6H3,(H,19,22)
InChIKeyGNDZFZADMBDCLD-UHFFFAOYSA-N
MW335.52 g/mol
LogP2.82
Rot. Bonds6

About 2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide

2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide (PubChem CID 24845268) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide
PubChem CID24845268
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCC(C)(C)NCc2cccs2)C(C)(C)N1
InChIInChI=1S/C18H29N3OS/c1-16(2)10-14(18(5,6)21-16)15(22)19-12-17(3,4)20-11-13-8-7-9-23-13/h7-10,20-21H,11-12H2,1-6H3,(H,19,22)
InChIKeyGNDZFZADMBDCLD-UHFFFAOYSA-N
XLogP2.82
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5,5-tetramethyl-N-[4-(thiophen-2-ylmethylamino)butyl]-1H-pyrrole-3-carboxamide
CID 24845296
2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride
CID 53347623
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 4722843
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N,N,2-trimethyl-2-(thiophen-2-ylmethylamino)propanamide
CID 115618443
1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 94909098
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-methyl-2-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 62835443
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide (CID 24845268) is 2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide is CC1(C)C=C(C(=O)NCC(C)(C)NCc2cccs2)C(C)(C)N1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide?
The InChIKey is GNDZFZADMBDCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-16(2)10-14(18(5,6)21-16)15(22)19-12-17(3,4)20-11-13-8-7-9-23-13/h7-10,20-21H,11-12H2,1-6H3,(H,19,22).
What are the key properties of 2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide?
2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide has a molecular weight of 335.52 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[2-methyl-2-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24845268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).