N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide

C20H23N3O3S — CID 86834770

IUPACN-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C20H23N3O3S/c1-12-10-16(23-19(25)15-8-9-15)27-17(12)20(26)22-13(2)18(24)21-11-14-6-4-3-5-7-14/h3-7,10,13,15H,8-9,11H2,1-2H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyQZKSGZQRSUIIGZ-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.84
Rot. Bonds7

About N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide

N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide (PubChem CID 86834770) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
PubChem CID86834770
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C20H23N3O3S/c1-12-10-16(23-19(25)15-8-9-15)27-17(12)20(26)22-13(2)18(24)21-11-14-6-4-3-5-7-14/h3-7,10,13,15H,8-9,11H2,1-2H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyQZKSGZQRSUIIGZ-UHFFFAOYSA-N
XLogP2.84
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide (CID 86834770) is N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)NC(C)C(=O)NCc1ccccc1.
What is the InChIKey of N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
The InChIKey is QZKSGZQRSUIIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-12-10-16(23-19(25)15-8-9-15)27-17(12)20(26)22-13(2)18(24)21-11-14-6-4-3-5-7-14/h3-7,10,13,15H,8-9,11H2,1-2H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 86834770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).