N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide

C11H13IN2O2S — CID 115618086

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1csc(I)c1
InChIInChI=1S/C11H13IN2O2S/c12-9-5-8(6-17-9)11(16)14-4-3-13-10(15)7-1-2-7/h5-7H,1-4H2,(H,13,15)(H,14,16)
InChIKeySCQDJICYFQVFCZ-UHFFFAOYSA-N
MW364.21 g/mol
LogP1.61
Rot. Bonds5

About N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide

N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide (PubChem CID 115618086) has the molecular formula C11H13IN2O2S and a molecular weight of 364.21 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide
PubChem CID115618086
Molecular FormulaC11H13IN2O2S
Molecular Weight364.21 g/mol
Exact Mass363.97
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1csc(I)c1
InChIInChI=1S/C11H13IN2O2S/c12-9-5-8(6-17-9)11(16)14-4-3-13-10(15)7-1-2-7/h5-7H,1-4H2,(H,13,15)(H,14,16)
InChIKeySCQDJICYFQVFCZ-UHFFFAOYSA-N
XLogP1.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromopropyl)-5-iodothiophene-3-carboxamide
CID 79693807
5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide
CID 115618153
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide
CID 115610674
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
CID 79692764
methyl 4-[(5-iodothiophene-3-carbonyl)amino]butanoate
CID 78950176
5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
CID 78949717
5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide
CID 78949608
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide
CID 106132272
5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 78948417
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide
CID 115738037

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide (CID 115618086) is N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide is O=C(NCCNC(=O)C1CC1)c1csc(I)c1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide?
The InChIKey is SCQDJICYFQVFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O2S/c12-9-5-8(6-17-9)11(16)14-4-3-13-10(15)7-1-2-7/h5-7H,1-4H2,(H,13,15)(H,14,16).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide has a molecular weight of 364.21 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 115618086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).