5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide

C20H21N3O3S — CID 41266546

IUPAC5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H21N3O3S/c1-11-10-16(23-19(25)13-4-5-13)27-17(11)20(26)22-15-8-6-14(7-9-15)21-18(24)12-2-3-12/h6-10,12-13H,2-5H2,1H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyDFZSUACRVNNLOP-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.01
Rot. Bonds6

About 5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 41266546) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
PubChem CID41266546
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H21N3O3S/c1-11-10-16(23-19(25)13-4-5-13)27-17(11)20(26)22-15-8-6-14(7-9-15)21-18(24)12-2-3-12/h6-10,12-13H,2-5H2,1H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyDFZSUACRVNNLOP-UHFFFAOYSA-N
XLogP4.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 38260168
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide
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CID 78835864
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5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 86822599
5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 24610289
prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate
CID 47158600
N-[2-(benzylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide (CID 41266546) is 5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is DFZSUACRVNNLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-11-10-16(23-19(25)13-4-5-13)27-17(11)20(26)22-15-8-6-14(7-9-15)21-18(24)12-2-3-12/h6-10,12-13H,2-5H2,1H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 41266546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).