N-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide

C14H16N2O3S3 — CID 51115633

IUPACN-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
SMILESCC(C(=O)NC1CC1)S(=O)(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C14H16N2O3S3/c1-9(13(17)15-10-4-5-10)22(18,19)8-11-7-21-14(16-11)12-3-2-6-20-12/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,15,17)
InChIKeyKKQNVKAVOKQGFU-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.45
Rot. Bonds6

About N-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide

N-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide (PubChem CID 51115633) has the molecular formula C14H16N2O3S3 and a molecular weight of 356.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
PubChem CID51115633
Molecular FormulaC14H16N2O3S3
Molecular Weight356.49 g/mol
Exact Mass356.03
IUPAC NameN-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
SMILESCC(C(=O)NC1CC1)S(=O)(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C14H16N2O3S3/c1-9(13(17)15-10-4-5-10)22(18,19)8-11-7-21-14(16-11)12-3-2-6-20-12/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,15,17)
InChIKeyKKQNVKAVOKQGFU-UHFFFAOYSA-N
XLogP2.45
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}propanamide
CID 2738814
N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 1473850
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}cyclopropanecarboxamide
CID 2738812
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2532748
N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
CID 118524461
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}cyclobutanecarboxamide
CID 2738827
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 3238025
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24473064
N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 40163347
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 42920002
N-(cyclohexylmethyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
CID 45891978
N-cyclohexyl-N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
CID 45891979

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
The IUPAC name of N-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide (CID 51115633) is N-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide is CC(C(=O)NC1CC1)S(=O)(=O)Cc1csc(-c2cccs2)n1.
What is the InChIKey of N-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
The InChIKey is KKQNVKAVOKQGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S3/c1-9(13(17)15-10-4-5-10)22(18,19)8-11-7-21-14(16-11)12-3-2-6-20-12/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
N-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide has a molecular weight of 356.49 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 51115633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).