N-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide

C13H18N2O3S — CID 55173132

IUPACN-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCC(O)C1CC1
InChIInChI=1S/C13H18N2O3S/c16-11(9-1-2-9)7-15-12(17)3-5-14-13(18)10-4-6-19-8-10/h4,6,8-9,11,16H,1-3,5,7H2,(H,14,18)(H,15,17)
InChIKeyNLOQWWFRFMUIHK-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.76
Rot. Bonds7

About N-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 55173132) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID55173132
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCC(O)C1CC1
InChIInChI=1S/C13H18N2O3S/c16-11(9-1-2-9)7-15-12(17)3-5-14-13(18)10-4-6-19-8-10/h4,6,8-9,11,16H,1-3,5,7H2,(H,14,18)(H,15,17)
InChIKeyNLOQWWFRFMUIHK-UHFFFAOYSA-N
XLogP0.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 55173132) is N-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)NCC(O)C1CC1.
What is the InChIKey of N-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is NLOQWWFRFMUIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-11(9-1-2-9)7-15-12(17)3-5-14-13(18)10-4-6-19-8-10/h4,6,8-9,11,16H,1-3,5,7H2,(H,14,18)(H,15,17).
What are the key properties of N-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 55173132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).