N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide

C14H18N2O2S — CID 99997283

IUPACN-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC[C@H](O)c2cccn2C)c1
InChIInChI=1S/C14H18N2O2S/c1-10-8-13(19-9-10)14(18)15-6-5-12(17)11-4-3-7-16(11)2/h3-4,7-9,12,17H,5-6H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyKYVCAAFWOHQMGS-LBPRGKRZSA-N
MW278.38 g/mol
LogP2.25
Rot. Bonds5

About N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide

N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide (PubChem CID 99997283) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide
PubChem CID99997283
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC[C@H](O)c2cccn2C)c1
InChIInChI=1S/C14H18N2O2S/c1-10-8-13(19-9-10)14(18)15-6-5-12(17)11-4-3-7-16(11)2/h3-4,7-9,12,17H,5-6H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyKYVCAAFWOHQMGS-LBPRGKRZSA-N
XLogP2.25
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide (CID 99997283) is N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCC[C@H](O)c2cccn2C)c1.
What is the InChIKey of N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide?
The InChIKey is KYVCAAFWOHQMGS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-8-13(19-9-10)14(18)15-6-5-12(17)11-4-3-7-16(11)2/h3-4,7-9,12,17H,5-6H2,1-2H3,(H,15,18)/t12-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide?
N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 99997283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).