N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide

C10H12INOS — CID 78948757

IUPACN-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide
SMILESCCN(C(=O)c1csc(I)c1)C1CC1
InChIInChI=1S/C10H12INOS/c1-2-12(8-3-4-8)10(13)7-5-9(11)14-6-7/h5-6,8H,2-4H2,1H3
InChIKeyDTMSYDPVTWTLDR-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.98
Rot. Bonds3

About N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide

N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide (PubChem CID 78948757) has the molecular formula C10H12INOS and a molecular weight of 321.18 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide
PubChem CID78948757
Molecular FormulaC10H12INOS
Molecular Weight321.18 g/mol
Exact Mass320.97
IUPAC NameN-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide
SMILESCCN(C(=O)c1csc(I)c1)C1CC1
InChIInChI=1S/C10H12INOS/c1-2-12(8-3-4-8)10(13)7-5-9(11)14-6-7/h5-6,8H,2-4H2,1H3
InChIKeyDTMSYDPVTWTLDR-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948393
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948953
N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78948676
N-[(2S)-2-cyanopropyl]-N-cyclopropyl-5-iodothiophene-3-carboxamide
CID 97087107
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide
CID 79683756
5-bromo-N-cyclohexyl-N-ethylthiophene-3-carboxamide
CID 43424613
N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79720840
5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
5-iodo-N-methyl-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
CID 119441879
5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide
CID 60739077
N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide
CID 102993520
4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 47155368

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide (CID 78948757) is N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide is CCN(C(=O)c1csc(I)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide?
The InChIKey is DTMSYDPVTWTLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INOS/c1-2-12(8-3-4-8)10(13)7-5-9(11)14-6-7/h5-6,8H,2-4H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide?
N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78948757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).