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

C17H25N3O3S — CID 86860271

IUPACN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
SMILESCCC(C)NC(=O)C(C)NC(=O)c1sc(NC(=O)C2CC2)cc1C
InChIInChI=1S/C17H25N3O3S/c1-5-10(3)18-15(21)11(4)19-17(23)14-9(2)8-13(24-14)20-16(22)12-6-7-12/h8,10-12H,5-7H2,1-4H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyNTPCRYQGRPHENP-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.44
Rot. Bonds7

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

N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide (PubChem CID 86860271) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
PubChem CID86860271
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
SMILESCCC(C)NC(=O)C(C)NC(=O)c1sc(NC(=O)C2CC2)cc1C
InChIInChI=1S/C17H25N3O3S/c1-5-10(3)18-15(21)11(4)19-17(23)14-9(2)8-13(24-14)20-16(22)12-6-7-12/h8,10-12H,5-7H2,1-4H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyNTPCRYQGRPHENP-UHFFFAOYSA-N
XLogP2.44
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide (CID 86860271) is N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide is CCC(C)NC(=O)C(C)NC(=O)c1sc(NC(=O)C2CC2)cc1C.
What is the InChIKey of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
The InChIKey is NTPCRYQGRPHENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-5-10(3)18-15(21)11(4)19-17(23)14-9(2)8-13(24-14)20-16(22)12-6-7-12/h8,10-12H,5-7H2,1-4H3,(H,18,21)(H,19,23)(H,20,22).
What are the key properties of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 86860271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).