N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide

C17H20N2O2S2 — CID 95159242

IUPACN-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC[C@H](NC(=O)c1sccc1C)C1CC1
InChIInChI=1S/C17H20N2O2S2/c1-10-5-7-22-14(10)16(20)18-9-13(12-3-4-12)19-17(21)15-11(2)6-8-23-15/h5-8,12-13H,3-4,9H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyUYHJRIOHHLTJRC-ZDUSSCGKSA-N
MW348.49 g/mol
LogP3.36
Rot. Bonds6

About N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide

N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide (PubChem CID 95159242) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide
PubChem CID95159242
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC NameN-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC[C@H](NC(=O)c1sccc1C)C1CC1
InChIInChI=1S/C17H20N2O2S2/c1-10-5-7-22-14(10)16(20)18-9-13(12-3-4-12)19-17(21)15-11(2)6-8-23-15/h5-8,12-13H,3-4,9H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyUYHJRIOHHLTJRC-ZDUSSCGKSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide (CID 95159242) is N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC[C@H](NC(=O)c1sccc1C)C1CC1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide?
The InChIKey is UYHJRIOHHLTJRC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-10-5-7-22-14(10)16(20)18-9-13(12-3-4-12)19-17(21)15-11(2)6-8-23-15/h5-8,12-13H,3-4,9H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide?
N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 95159242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).