4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide

C16H16ClNO2S2 — CID 55599478

IUPAC4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCC(=O)N(Cc1cccs1)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C16H16ClNO2S2/c17-15-7-6-14(22-15)13(19)5-8-16(20)18(11-3-4-11)10-12-2-1-9-21-12/h1-2,6-7,9,11H,3-5,8,10H2
InChIKeyJLHJQDOVKUMEPA-UHFFFAOYSA-N
MW353.90 g/mol
LogP4.62
Rot. Bonds7

About 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide

4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 55599478) has the molecular formula C16H16ClNO2S2 and a molecular weight of 353.90 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide
PubChem CID55599478
Molecular FormulaC16H16ClNO2S2
Molecular Weight353.90 g/mol
Exact Mass353.03
IUPAC Name4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCC(=O)N(Cc1cccs1)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C16H16ClNO2S2/c17-15-7-6-14(22-15)13(19)5-8-16(20)18(11-3-4-11)10-12-2-1-9-21-12/h1-2,6-7,9,11H,3-5,8,10H2
InChIKeyJLHJQDOVKUMEPA-UHFFFAOYSA-N
XLogP4.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119715445
N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide
CID 134004464
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 75526467
N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 157468797
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 64686059
N-cyclopropyl-2-piperidin-4-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715455
N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 134004505
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488
N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 55581868
1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62036547
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide (CID 55599478) is 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide is O=C(CCC(=O)N(Cc1cccs1)C1CC1)c1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is JLHJQDOVKUMEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S2/c17-15-7-6-14(22-15)13(19)5-8-16(20)18(11-3-4-11)10-12-2-1-9-21-12/h1-2,6-7,9,11H,3-5,8,10H2.
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide?
4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 353.90 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 55599478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).