N-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide

C19H23N3O2S — CID 71907631

IUPACN-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCN1CCC(NC(=O)CCNC(=O)c2ccsc2)C1c1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-22-11-8-16(18(22)14-5-3-2-4-6-14)21-17(23)7-10-20-19(24)15-9-12-25-13-15/h2-6,9,12-13,16,18H,7-8,10-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyQJWOLSJWGCHULC-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.43
Rot. Bonds6

About N-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 71907631) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID71907631
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCN1CCC(NC(=O)CCNC(=O)c2ccsc2)C1c1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-22-11-8-16(18(22)14-5-3-2-4-6-14)21-17(23)7-10-20-19(24)15-9-12-25-13-15/h2-6,9,12-13,16,18H,7-8,10-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyQJWOLSJWGCHULC-UHFFFAOYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 71907631) is N-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide is CN1CCC(NC(=O)CCNC(=O)c2ccsc2)C1c1ccccc1.
What is the InChIKey of N-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is QJWOLSJWGCHULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-22-11-8-16(18(22)14-5-3-2-4-6-14)21-17(23)7-10-20-19(24)15-9-12-25-13-15/h2-6,9,12-13,16,18H,7-8,10-11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 71907631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).