N-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide

C18H17FN2O2S — CID 97442326

IUPACN-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESO=C(NCC1CC1)c1cc2c(s1)CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2S/c19-13-5-3-12(4-6-13)18(23)21-8-7-15-14(21)9-16(24-15)17(22)20-10-11-1-2-11/h3-6,9,11H,1-2,7-8,10H2,(H,20,22)
InChIKeyDRFZSNBMKDNIIY-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.23
Rot. Bonds4

About N-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide

N-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (PubChem CID 97442326) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
PubChem CID97442326
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC NameN-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESO=C(NCC1CC1)c1cc2c(s1)CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2S/c19-13-5-3-12(4-6-13)18(23)21-8-7-15-14(21)9-16(24-15)17(22)20-10-11-1-2-11/h3-6,9,11H,1-2,7-8,10H2,(H,20,22)
InChIKeyDRFZSNBMKDNIIY-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (CID 97442326) is N-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is O=C(NCC1CC1)c1cc2c(s1)CCN2C(=O)c1ccc(F)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The InChIKey is DRFZSNBMKDNIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c19-13-5-3-12(4-6-13)18(23)21-8-7-15-14(21)9-16(24-15)17(22)20-10-11-1-2-11/h3-6,9,11H,1-2,7-8,10H2,(H,20,22).
What are the key properties of N-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
N-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(4-fluorobenzoyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 97442326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).