N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide

C19H20N2O2S — CID 46039232

IUPACN-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCC1CC1)c1cc2sccc2n1CCOc1ccccc1
InChIInChI=1S/C19H20N2O2S/c22-19(20-13-14-6-7-14)17-12-18-16(8-11-24-18)21(17)9-10-23-15-4-2-1-3-5-15/h1-5,8,11-12,14H,6-7,9-10,13H2,(H,20,22)
InChIKeyGIWMXVFLZZEXDR-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.92
Rot. Bonds7

About N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide

N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46039232) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46039232
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCC1CC1)c1cc2sccc2n1CCOc1ccccc1
InChIInChI=1S/C19H20N2O2S/c22-19(20-13-14-6-7-14)17-12-18-16(8-11-24-18)21(17)9-10-23-15-4-2-1-3-5-15/h1-5,8,11-12,14H,6-7,9-10,13H2,(H,20,22)
InChIKeyGIWMXVFLZZEXDR-UHFFFAOYSA-N
XLogP3.92
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039236
4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039194
4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324428
2-bromo-4-(2-phenoxyethyl)-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 46040159
4-benzyl-N-(3-ethoxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 6487098
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437573
4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
CID 89336756
4-[[4-[[[4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]butanoic acid
CID 163434733
N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038882
N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039049
N-ethyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039051
4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 6487946

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 46039232) is N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide is O=C(NCC1CC1)c1cc2sccc2n1CCOc1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is GIWMXVFLZZEXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-19(20-13-14-6-7-14)17-12-18-16(8-11-24-18)21(17)9-10-23-15-4-2-1-3-5-15/h1-5,8,11-12,14H,6-7,9-10,13H2,(H,20,22).
What are the key properties of N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide?
N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46039232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).